1-(cyclopropylmethoxy)-3-(7-propan-2-ylsulfonylheptyl)benzene;N-propan-2-yl-3-(7-propan-2-ylsulfonylheptyl)benzenesulfonamide;N-propan-2-yl-4-(7-propan-2-ylsulfonylheptyl)benzenesulfonamide;2-[4-(7-propan-2-ylsulfonylheptyl)phenyl]furan;5-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-1,2-oxazole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidin-2-one;2-(7-propan-2-ylsulfonylheptyl)-5-(trifluoromethyl)pyridine

C133H208F3N5O22S9 — CID 158606348

IUPAC1-(cyclopropylmethoxy)-3-(7-propan-2-ylsulfonylheptyl)benzene;N-propan-2-yl-3-(7-propan-2-ylsulfonylheptyl)benzenesulfonamide;N-propan-2-yl-4-(7-propan-2-ylsulfonylheptyl)benzenesulfonamide;2-[4-(7-propan-2-ylsulfonylheptyl)phenyl]furan;5-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-1,2-oxazole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidin-2-one;2-(7-propan-2-ylsulfonylheptyl)-5-(trifluoromethyl)pyridine
SMILESCC(C)NS(=O)(=O)c1ccc(CCCCCCCS(=O)(=O)C(C)C)cc1.CC(C)NS(=O)(=O)c1cccc(CCCCCCCS(=O)(=O)C(C)C)c1.CC(C)S(=O)(=O)CCCCCCCc1ccc(-c2ccco2)cc1.CC(C)S(=O)(=O)CCCCCCCc1ccc(-c2ccno2)cc1.CC(C)S(=O)(=O)CCCCCCCc1ccc(C(F)(F)F)cn1.CC(C)S(=O)(=O)CCCCCCCc1ccc(N2CCCC2=O)cc1.CC(C)S(=O)(=O)CCCCCCCc1cccc(OCC2CC2)c1
InChIInChI=1S/C20H31NO3S.C20H28O3S.C20H32O3S.2C19H33NO4S2.C19H27NO3S.C16H24F3NO2S/c1-17(2)25(23,24)16-7-5-3-4-6-9-18-11-13-19(14-12-18)21-15-8-10-20(21)22;1-17(2)24(21,22)16-7-5-3-4-6-9-18-11-13-19(14-12-18)20-10-8-15-23-20;1-17(2)24(21,22)14-7-5-3-4-6-9-18-10-8-11-20(15-18)23-16-19-12-13-19;1-16(2)20-26(23,24)19-13-10-12-18(15-19)11-8-6-5-7-9-14-25(21,22)17(3)4;1-16(2)20-26(23,24)19-13-11-18(12-14-19)10-8-6-5-7-9-15-25(21,22)17(3)4;1-16(2)24(21,22)15-7-5-3-4-6-8-17-9-11-18(12-10-17)19-13-14-20-23-19;1-13(2)23(21,22)11-7-5-3-4-6-8-15-10-9-14(12-20-15)16(17,18)19/h11-14,17H,3-10,15-16H2,1-2H3;8,10-15,17H,3-7,9,16H2,1-2H3;8,10-11,15,17,19H,3-7,9,12-14,16H2,1-2H3;10,12-13,15-17,20H,5-9,11,14H2,1-4H3;11-14,16-17,20H,5-10,15H2,1-4H3;9-14,16H,3-8,15H2,1-2H3;9-10,12-13H,3-8,11H2,1-2H3
InChIKeyHWGWUKMVNLJHKA-UHFFFAOYSA-N
MW2574.74 g/mol
LogP30.64
Rot. Bonds75

About 1-(cyclopropylmethoxy)-3-(7-propan-2-ylsulfonylheptyl)benzene;N-propan-2-yl-3-(7-propan-2-ylsulfonylheptyl)benzenesulfonamide;N-propan-2-yl-4-(7-propan-2-ylsulfonylheptyl)benzenesulfonamide;2-[4-(7-propan-2-ylsulfonylheptyl)phenyl]furan;5-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-1,2-oxazole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidin-2-one;2-(7-propan-2-ylsulfonylheptyl)-5-(trifluoromethyl)pyridine

1-(cyclopropylmethoxy)-3-(7-propan-2-ylsulfonylheptyl)benzene;N-propan-2-yl-3-(7-propan-2-ylsulfonylheptyl)benzenesulfonamide;N-propan-2-yl-4-(7-propan-2-ylsulfonylheptyl)benzenesulfonamide;2-[4-(7-propan-2-ylsulfonylheptyl)phenyl]furan;5-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-1,2-oxazole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidin-2-one;2-(7-propan-2-ylsulfonylheptyl)-5-(trifluoromethyl)pyridine (PubChem CID 158606348) has the molecular formula C133H208F3N5O22S9 and a molecular weight of 2574.74 g/mol. Its IUPAC name is 1-(cyclopropylmethoxy)-3-(7-propan-2-ylsulfonylheptyl)benzene;N-propan-2-yl-3-(7-propan-2-ylsulfonylheptyl)benzenesulfonamide;N-propan-2-yl-4-(7-propan-2-ylsulfonylheptyl)benzenesulfonamide;2-[4-(7-propan-2-ylsulfonylheptyl)phenyl]furan;5-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-1,2-oxazole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidin-2-one;2-(7-propan-2-ylsulfonylheptyl)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name1-(cyclopropylmethoxy)-3-(7-propan-2-ylsulfonylheptyl)benzene;N-propan-2-yl-3-(7-propan-2-ylsulfonylheptyl)benzenesulfonamide;N-propan-2-yl-4-(7-propan-2-ylsulfonylheptyl)benzenesulfonamide;2-[4-(7-propan-2-ylsulfonylheptyl)phenyl]furan;5-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-1,2-oxazole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidin-2-one;2-(7-propan-2-ylsulfonylheptyl)-5-(trifluoromethyl)pyridine
PubChem CID158606348
Molecular FormulaC133H208F3N5O22S9
Molecular Weight2574.74 g/mol
Exact Mass2572.27
IUPAC Name1-(cyclopropylmethoxy)-3-(7-propan-2-ylsulfonylheptyl)benzene;N-propan-2-yl-3-(7-propan-2-ylsulfonylheptyl)benzenesulfonamide;N-propan-2-yl-4-(7-propan-2-ylsulfonylheptyl)benzenesulfonamide;2-[4-(7-propan-2-ylsulfonylheptyl)phenyl]furan;5-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-1,2-oxazole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidin-2-one;2-(7-propan-2-ylsulfonylheptyl)-5-(trifluoromethyl)pyridine
SMILESCC(C)NS(=O)(=O)c1ccc(CCCCCCCS(=O)(=O)C(C)C)cc1.CC(C)NS(=O)(=O)c1cccc(CCCCCCCS(=O)(=O)C(C)C)c1.CC(C)S(=O)(=O)CCCCCCCc1ccc(-c2ccco2)cc1.CC(C)S(=O)(=O)CCCCCCCc1ccc(-c2ccno2)cc1.CC(C)S(=O)(=O)CCCCCCCc1ccc(C(F)(F)F)cn1.CC(C)S(=O)(=O)CCCCCCCc1ccc(N2CCCC2=O)cc1.CC(C)S(=O)(=O)CCCCCCCc1cccc(OCC2CC2)c1
InChIInChI=1S/C20H31NO3S.C20H28O3S.C20H32O3S.2C19H33NO4S2.C19H27NO3S.C16H24F3NO2S/c1-17(2)25(23,24)16-7-5-3-4-6-9-18-11-13-19(14-12-18)21-15-8-10-20(21)22;1-17(2)24(21,22)16-7-5-3-4-6-9-18-11-13-19(14-12-18)20-10-8-15-23-20;1-17(2)24(21,22)14-7-5-3-4-6-9-18-10-8-11-20(15-18)23-16-19-12-13-19;1-16(2)20-26(23,24)19-13-10-12-18(15-19)11-8-6-5-7-9-14-25(21,22)17(3)4;1-16(2)20-26(23,24)19-13-11-18(12-14-19)10-8-6-5-7-9-15-25(21,22)17(3)4;1-16(2)24(21,22)15-7-5-3-4-6-8-17-9-11-18(12-10-17)19-13-14-20-23-19;1-13(2)23(21,22)11-7-5-3-4-6-8-15-10-9-14(12-20-15)16(17,18)19/h11-14,17H,3-10,15-16H2,1-2H3;8,10-15,17H,3-7,9,16H2,1-2H3;8,10-11,15,17,19H,3-7,9,12-14,16H2,1-2H3;10,12-13,15-17,20H,5-9,11,14H2,1-4H3;11-14,16-17,20H,5-10,15H2,1-4H3;9-14,16H,3-8,15H2,1-2H3;9-10,12-13H,3-8,11H2,1-2H3
InChIKeyHWGWUKMVNLJHKA-UHFFFAOYSA-N
XLogP30.64
TPSA412.92 Ų
H-Bond Donors2
H-Bond Acceptors24
Rotatable Bonds75
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002574.74
LogP ≤ 530.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(cyclopropylmethoxy)-3-(7-propan-2-ylsulfonylheptyl)benzene;N-propan-2-yl-3-(7-propan-2-ylsulfonylheptyl)benzenesulfonamide;N-propan-2-yl-4-(7-propan-2-ylsulfonylheptyl)benzenesulfonamide;2-[4-(7-propan-2-ylsulfonylheptyl)phenyl]furan;5-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-1,2-oxazole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidin-2-one;2-(7-propan-2-ylsulfonylheptyl)-5-(trifluoromethyl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxy)-3-(7-propan-2-ylsulfonylheptyl)benzene;N-propan-2-yl-3-(7-propan-2-ylsulfonylheptyl)benzenesulfonamide;N-propan-2-yl-4-(7-propan-2-ylsulfonylheptyl)benzenesulfonamide;2-[4-(7-propan-2-ylsulfonylheptyl)phenyl]furan;5-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-1,2-oxazole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidin-2-one;2-(7-propan-2-ylsulfonylheptyl)-5-(trifluoromethyl)pyridine?
The IUPAC name of 1-(cyclopropylmethoxy)-3-(7-propan-2-ylsulfonylheptyl)benzene;N-propan-2-yl-3-(7-propan-2-ylsulfonylheptyl)benzenesulfonamide;N-propan-2-yl-4-(7-propan-2-ylsulfonylheptyl)benzenesulfonamide;2-[4-(7-propan-2-ylsulfonylheptyl)phenyl]furan;5-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-1,2-oxazole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidin-2-one;2-(7-propan-2-ylsulfonylheptyl)-5-(trifluoromethyl)pyridine (CID 158606348) is 1-(cyclopropylmethoxy)-3-(7-propan-2-ylsulfonylheptyl)benzene;N-propan-2-yl-3-(7-propan-2-ylsulfonylheptyl)benzenesulfonamide;N-propan-2-yl-4-(7-propan-2-ylsulfonylheptyl)benzenesulfonamide;2-[4-(7-propan-2-ylsulfonylheptyl)phenyl]furan;5-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-1,2-oxazole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidin-2-one;2-(7-propan-2-ylsulfonylheptyl)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 1-(cyclopropylmethoxy)-3-(7-propan-2-ylsulfonylheptyl)benzene;N-propan-2-yl-3-(7-propan-2-ylsulfonylheptyl)benzenesulfonamide;N-propan-2-yl-4-(7-propan-2-ylsulfonylheptyl)benzenesulfonamide;2-[4-(7-propan-2-ylsulfonylheptyl)phenyl]furan;5-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-1,2-oxazole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidin-2-one;2-(7-propan-2-ylsulfonylheptyl)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 1-(cyclopropylmethoxy)-3-(7-propan-2-ylsulfonylheptyl)benzene;N-propan-2-yl-3-(7-propan-2-ylsulfonylheptyl)benzenesulfonamide;N-propan-2-yl-4-(7-propan-2-ylsulfonylheptyl)benzenesulfonamide;2-[4-(7-propan-2-ylsulfonylheptyl)phenyl]furan;5-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-1,2-oxazole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidin-2-one;2-(7-propan-2-ylsulfonylheptyl)-5-(trifluoromethyl)pyridine is CC(C)NS(=O)(=O)c1ccc(CCCCCCCS(=O)(=O)C(C)C)cc1.CC(C)NS(=O)(=O)c1cccc(CCCCCCCS(=O)(=O)C(C)C)c1.CC(C)S(=O)(=O)CCCCCCCc1ccc(-c2ccco2)cc1.CC(C)S(=O)(=O)CCCCCCCc1ccc(-c2ccno2)cc1.CC(C)S(=O)(=O)CCCCCCCc1ccc(C(F)(F)F)cn1.CC(C)S(=O)(=O)CCCCCCCc1ccc(N2CCCC2=O)cc1.CC(C)S(=O)(=O)CCCCCCCc1cccc(OCC2CC2)c1.
What is the InChIKey of 1-(cyclopropylmethoxy)-3-(7-propan-2-ylsulfonylheptyl)benzene;N-propan-2-yl-3-(7-propan-2-ylsulfonylheptyl)benzenesulfonamide;N-propan-2-yl-4-(7-propan-2-ylsulfonylheptyl)benzenesulfonamide;2-[4-(7-propan-2-ylsulfonylheptyl)phenyl]furan;5-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-1,2-oxazole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidin-2-one;2-(7-propan-2-ylsulfonylheptyl)-5-(trifluoromethyl)pyridine?
The InChIKey is HWGWUKMVNLJHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO3S.C20H28O3S.C20H32O3S.2C19H33NO4S2.C19H27NO3S.C16H24F3NO2S/c1-17(2)25(23,24)16-7-5-3-4-6-9-18-11-13-19(14-12-18)21-15-8-10-20(21)22;1-17(2)24(21,22)16-7-5-3-4-6-9-18-11-13-19(14-12-18)20-10-8-15-23-20;1-17(2)24(21,22)14-7-5-3-4-6-9-18-10-8-11-20(15-18)23-16-19-12-13-19;1-16(2)20-26(23,24)19-13-10-12-18(15-19)11-8-6-5-7-9-14-25(21,22)17(3)4;1-16(2)20-26(23,24)19-13-11-18(12-14-19)10-8-6-5-7-9-15-25(21,22)17(3)4;1-16(2)24(21,22)15-7-5-3-4-6-8-17-9-11-18(12-10-17)19-13-14-20-23-19;1-13(2)23(21,22)11-7-5-3-4-6-8-15-10-9-14(12-20-15)16(17,18)19/h11-14,17H,3-10,15-16H2,1-2H3;8,10-15,17H,3-7,9,16H2,1-2H3;8,10-11,15,17,19H,3-7,9,12-14,16H2,1-2H3;10,12-13,15-17,20H,5-9,11,14H2,1-4H3;11-14,16-17,20H,5-10,15H2,1-4H3;9-14,16H,3-8,15H2,1-2H3;9-10,12-13H,3-8,11H2,1-2H3.
What are the key properties of 1-(cyclopropylmethoxy)-3-(7-propan-2-ylsulfonylheptyl)benzene;N-propan-2-yl-3-(7-propan-2-ylsulfonylheptyl)benzenesulfonamide;N-propan-2-yl-4-(7-propan-2-ylsulfonylheptyl)benzenesulfonamide;2-[4-(7-propan-2-ylsulfonylheptyl)phenyl]furan;5-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-1,2-oxazole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidin-2-one;2-(7-propan-2-ylsulfonylheptyl)-5-(trifluoromethyl)pyridine?
1-(cyclopropylmethoxy)-3-(7-propan-2-ylsulfonylheptyl)benzene;N-propan-2-yl-3-(7-propan-2-ylsulfonylheptyl)benzenesulfonamide;N-propan-2-yl-4-(7-propan-2-ylsulfonylheptyl)benzenesulfonamide;2-[4-(7-propan-2-ylsulfonylheptyl)phenyl]furan;5-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-1,2-oxazole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidin-2-one;2-(7-propan-2-ylsulfonylheptyl)-5-(trifluoromethyl)pyridine has a molecular weight of 2574.74 g/mol, XLogP of 30.64, 75 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethoxy)-3-(7-propan-2-ylsulfonylheptyl)benzene;N-propan-2-yl-3-(7-propan-2-ylsulfonylheptyl)benzenesulfonamide;N-propan-2-yl-4-(7-propan-2-ylsulfonylheptyl)benzenesulfonamide;2-[4-(7-propan-2-ylsulfonylheptyl)phenyl]furan;5-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-1,2-oxazole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidin-2-one;2-(7-propan-2-ylsulfonylheptyl)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 158606348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).