tert-butyl 4-[5-[2-(cyclohexylmethyl)-5-(methylsulfamoyl)phenyl]tetrazol-2-yl]piperidine-1-carboxylate;4-(cyclohexylmethyl)-N-methyl-3-[2-(2-methylpropyl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-(2-propan-2-yltetrazol-5-yl)benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(pyridin-3-ylmethyl)tetrazol-5-yl]benzenesulfonamide

C83H120N22O10S4 — CID 163630238

IUPACtert-butyl 4-[5-[2-(cyclohexylmethyl)-5-(methylsulfamoyl)phenyl]tetrazol-2-yl]piperidine-1-carboxylate;4-(cyclohexylmethyl)-N-methyl-3-[2-(2-methylpropyl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-(2-propan-2-yltetrazol-5-yl)benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(pyridin-3-ylmethyl)tetrazol-5-yl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(CC2CCCCC2)c(-c2nnn(C(C)C)n2)c1.CNS(=O)(=O)c1ccc(CC2CCCCC2)c(-c2nnn(C3CCN(C(=O)OC(C)(C)C)CC3)n2)c1.CNS(=O)(=O)c1ccc(CC2CCCCC2)c(-c2nnn(CC(C)C)n2)c1.CNS(=O)(=O)c1ccc(CC2CCCCC2)c(-c2nnn(Cc3cccnc3)n2)c1
InChIInChI=1S/C25H38N6O4S.C21H26N6O2S.C19H29N5O2S.C18H27N5O2S/c1-25(2,3)35-24(32)30-14-12-20(13-15-30)31-28-23(27-29-31)22-17-21(36(33,34)26-4)11-10-19(22)16-18-8-6-5-7-9-18;1-22-30(28,29)19-10-9-18(12-16-6-3-2-4-7-16)20(13-19)21-24-26-27(25-21)15-17-8-5-11-23-14-17;1-14(2)13-24-22-19(21-23-24)18-12-17(27(25,26)20-3)10-9-16(18)11-15-7-5-4-6-8-15;1-13(2)23-21-18(20-22-23)17-12-16(26(24,25)19-3)10-9-15(17)11-14-7-5-4-6-8-14/h10-11,17-18,20,26H,5-9,12-16H2,1-4H3;5,8-11,13-14,16,22H,2-4,6-7,12,15H2,1H3;9-10,12,14-15,20H,4-8,11,13H2,1-3H3;9-10,12-14,19H,4-8,11H2,1-3H3
InChIKeyHVLSBJRQBIYXCF-UHFFFAOYSA-N
MW1714.28 g/mol
LogP12.74
Rot. Bonds26

About tert-butyl 4-[5-[2-(cyclohexylmethyl)-5-(methylsulfamoyl)phenyl]tetrazol-2-yl]piperidine-1-carboxylate;4-(cyclohexylmethyl)-N-methyl-3-[2-(2-methylpropyl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-(2-propan-2-yltetrazol-5-yl)benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(pyridin-3-ylmethyl)tetrazol-5-yl]benzenesulfonamide

tert-butyl 4-[5-[2-(cyclohexylmethyl)-5-(methylsulfamoyl)phenyl]tetrazol-2-yl]piperidine-1-carboxylate;4-(cyclohexylmethyl)-N-methyl-3-[2-(2-methylpropyl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-(2-propan-2-yltetrazol-5-yl)benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(pyridin-3-ylmethyl)tetrazol-5-yl]benzenesulfonamide (PubChem CID 163630238) has the molecular formula C83H120N22O10S4 and a molecular weight of 1714.28 g/mol. Its IUPAC name is tert-butyl 4-[5-[2-(cyclohexylmethyl)-5-(methylsulfamoyl)phenyl]tetrazol-2-yl]piperidine-1-carboxylate;4-(cyclohexylmethyl)-N-methyl-3-[2-(2-methylpropyl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-(2-propan-2-yltetrazol-5-yl)benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(pyridin-3-ylmethyl)tetrazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Nametert-butyl 4-[5-[2-(cyclohexylmethyl)-5-(methylsulfamoyl)phenyl]tetrazol-2-yl]piperidine-1-carboxylate;4-(cyclohexylmethyl)-N-methyl-3-[2-(2-methylpropyl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-(2-propan-2-yltetrazol-5-yl)benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(pyridin-3-ylmethyl)tetrazol-5-yl]benzenesulfonamide
PubChem CID163630238
Molecular FormulaC83H120N22O10S4
Molecular Weight1714.28 g/mol
Exact Mass1712.84
IUPAC Nametert-butyl 4-[5-[2-(cyclohexylmethyl)-5-(methylsulfamoyl)phenyl]tetrazol-2-yl]piperidine-1-carboxylate;4-(cyclohexylmethyl)-N-methyl-3-[2-(2-methylpropyl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-(2-propan-2-yltetrazol-5-yl)benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(pyridin-3-ylmethyl)tetrazol-5-yl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(CC2CCCCC2)c(-c2nnn(C(C)C)n2)c1.CNS(=O)(=O)c1ccc(CC2CCCCC2)c(-c2nnn(C3CCN(C(=O)OC(C)(C)C)CC3)n2)c1.CNS(=O)(=O)c1ccc(CC2CCCCC2)c(-c2nnn(CC(C)C)n2)c1.CNS(=O)(=O)c1ccc(CC2CCCCC2)c(-c2nnn(Cc3cccnc3)n2)c1
InChIInChI=1S/C25H38N6O4S.C21H26N6O2S.C19H29N5O2S.C18H27N5O2S/c1-25(2,3)35-24(32)30-14-12-20(13-15-30)31-28-23(27-29-31)22-17-21(36(33,34)26-4)11-10-19(22)16-18-8-6-5-7-9-18;1-22-30(28,29)19-10-9-18(12-16-6-3-2-4-7-16)20(13-19)21-24-26-27(25-21)15-17-8-5-11-23-14-17;1-14(2)13-24-22-19(21-23-24)18-12-17(27(25,26)20-3)10-9-16(18)11-15-7-5-4-6-8-15;1-13(2)23-21-18(20-22-23)17-12-16(26(24,25)19-3)10-9-15(17)11-14-7-5-4-6-8-14/h10-11,17-18,20,26H,5-9,12-16H2,1-4H3;5,8-11,13-14,16,22H,2-4,6-7,12,15H2,1H3;9-10,12,14-15,20H,4-8,11,13H2,1-3H3;9-10,12-14,19H,4-8,11H2,1-3H3
InChIKeyHVLSBJRQBIYXCF-UHFFFAOYSA-N
XLogP12.74
TPSA401.51 Ų
H-Bond Donors4
H-Bond Acceptors27
Rotatable Bonds26
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001714.28
LogP ≤ 512.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1027

Analyze tert-butyl 4-[5-[2-(cyclohexylmethyl)-5-(methylsulfamoyl)phenyl]tetrazol-2-yl]piperidine-1-carboxylate;4-(cyclohexylmethyl)-N-methyl-3-[2-(2-methylpropyl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-(2-propan-2-yltetrazol-5-yl)benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(pyridin-3-ylmethyl)tetrazol-5-yl]benzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-[2-(cyclohexylmethyl)-5-(methylsulfamoyl)phenyl]tetrazol-2-yl]piperidine-1-carboxylate;4-(cyclohexylmethyl)-N-methyl-3-[2-(2-methylpropyl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-(2-propan-2-yltetrazol-5-yl)benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(pyridin-3-ylmethyl)tetrazol-5-yl]benzenesulfonamide?
The IUPAC name of tert-butyl 4-[5-[2-(cyclohexylmethyl)-5-(methylsulfamoyl)phenyl]tetrazol-2-yl]piperidine-1-carboxylate;4-(cyclohexylmethyl)-N-methyl-3-[2-(2-methylpropyl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-(2-propan-2-yltetrazol-5-yl)benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(pyridin-3-ylmethyl)tetrazol-5-yl]benzenesulfonamide (CID 163630238) is tert-butyl 4-[5-[2-(cyclohexylmethyl)-5-(methylsulfamoyl)phenyl]tetrazol-2-yl]piperidine-1-carboxylate;4-(cyclohexylmethyl)-N-methyl-3-[2-(2-methylpropyl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-(2-propan-2-yltetrazol-5-yl)benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(pyridin-3-ylmethyl)tetrazol-5-yl]benzenesulfonamide.
What is the SMILES notation for tert-butyl 4-[5-[2-(cyclohexylmethyl)-5-(methylsulfamoyl)phenyl]tetrazol-2-yl]piperidine-1-carboxylate;4-(cyclohexylmethyl)-N-methyl-3-[2-(2-methylpropyl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-(2-propan-2-yltetrazol-5-yl)benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(pyridin-3-ylmethyl)tetrazol-5-yl]benzenesulfonamide?
The canonical SMILES for tert-butyl 4-[5-[2-(cyclohexylmethyl)-5-(methylsulfamoyl)phenyl]tetrazol-2-yl]piperidine-1-carboxylate;4-(cyclohexylmethyl)-N-methyl-3-[2-(2-methylpropyl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-(2-propan-2-yltetrazol-5-yl)benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(pyridin-3-ylmethyl)tetrazol-5-yl]benzenesulfonamide is CNS(=O)(=O)c1ccc(CC2CCCCC2)c(-c2nnn(C(C)C)n2)c1.CNS(=O)(=O)c1ccc(CC2CCCCC2)c(-c2nnn(C3CCN(C(=O)OC(C)(C)C)CC3)n2)c1.CNS(=O)(=O)c1ccc(CC2CCCCC2)c(-c2nnn(CC(C)C)n2)c1.CNS(=O)(=O)c1ccc(CC2CCCCC2)c(-c2nnn(Cc3cccnc3)n2)c1.
What is the InChIKey of tert-butyl 4-[5-[2-(cyclohexylmethyl)-5-(methylsulfamoyl)phenyl]tetrazol-2-yl]piperidine-1-carboxylate;4-(cyclohexylmethyl)-N-methyl-3-[2-(2-methylpropyl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-(2-propan-2-yltetrazol-5-yl)benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(pyridin-3-ylmethyl)tetrazol-5-yl]benzenesulfonamide?
The InChIKey is HVLSBJRQBIYXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N6O4S.C21H26N6O2S.C19H29N5O2S.C18H27N5O2S/c1-25(2,3)35-24(32)30-14-12-20(13-15-30)31-28-23(27-29-31)22-17-21(36(33,34)26-4)11-10-19(22)16-18-8-6-5-7-9-18;1-22-30(28,29)19-10-9-18(12-16-6-3-2-4-7-16)20(13-19)21-24-26-27(25-21)15-17-8-5-11-23-14-17;1-14(2)13-24-22-19(21-23-24)18-12-17(27(25,26)20-3)10-9-16(18)11-15-7-5-4-6-8-15;1-13(2)23-21-18(20-22-23)17-12-16(26(24,25)19-3)10-9-15(17)11-14-7-5-4-6-8-14/h10-11,17-18,20,26H,5-9,12-16H2,1-4H3;5,8-11,13-14,16,22H,2-4,6-7,12,15H2,1H3;9-10,12,14-15,20H,4-8,11,13H2,1-3H3;9-10,12-14,19H,4-8,11H2,1-3H3.
What are the key properties of tert-butyl 4-[5-[2-(cyclohexylmethyl)-5-(methylsulfamoyl)phenyl]tetrazol-2-yl]piperidine-1-carboxylate;4-(cyclohexylmethyl)-N-methyl-3-[2-(2-methylpropyl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-(2-propan-2-yltetrazol-5-yl)benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(pyridin-3-ylmethyl)tetrazol-5-yl]benzenesulfonamide?
tert-butyl 4-[5-[2-(cyclohexylmethyl)-5-(methylsulfamoyl)phenyl]tetrazol-2-yl]piperidine-1-carboxylate;4-(cyclohexylmethyl)-N-methyl-3-[2-(2-methylpropyl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-(2-propan-2-yltetrazol-5-yl)benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(pyridin-3-ylmethyl)tetrazol-5-yl]benzenesulfonamide has a molecular weight of 1714.28 g/mol, XLogP of 12.74, 26 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-[2-(cyclohexylmethyl)-5-(methylsulfamoyl)phenyl]tetrazol-2-yl]piperidine-1-carboxylate;4-(cyclohexylmethyl)-N-methyl-3-[2-(2-methylpropyl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-(2-propan-2-yltetrazol-5-yl)benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(pyridin-3-ylmethyl)tetrazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 163630238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).