N-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]-5-methylphenyl]cyclopropanesulfonamide

C21H17F2NO4S2 — CID 122194416

IUPACN-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]-5-methylphenyl]cyclopropanesulfonamide
SMILESCc1cc(NS(=O)(=O)C2CC2)cc(-c2ccc(C(=O)c3c(F)ccc(O)c3F)s2)c1
InChIInChI=1S/C21H17F2NO4S2/c1-11-8-12(10-13(9-11)24-30(27,28)14-2-3-14)17-6-7-18(29-17)21(26)19-15(22)4-5-16(25)20(19)23/h4-10,14,24-25H,2-3H2,1H3
InChIKeyARYRCGSUJZWHTF-UHFFFAOYSA-N
MW449.50 g/mol
LogP4.84
Rot. Bonds6

About N-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]-5-methylphenyl]cyclopropanesulfonamide

N-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]-5-methylphenyl]cyclopropanesulfonamide (PubChem CID 122194416) has the molecular formula C21H17F2NO4S2 and a molecular weight of 449.50 g/mol. Its IUPAC name is N-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]-5-methylphenyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]-5-methylphenyl]cyclopropanesulfonamide
PubChem CID122194416
Molecular FormulaC21H17F2NO4S2
Molecular Weight449.50 g/mol
Exact Mass449.06
IUPAC NameN-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]-5-methylphenyl]cyclopropanesulfonamide
SMILESCc1cc(NS(=O)(=O)C2CC2)cc(-c2ccc(C(=O)c3c(F)ccc(O)c3F)s2)c1
InChIInChI=1S/C21H17F2NO4S2/c1-11-8-12(10-13(9-11)24-30(27,28)14-2-3-14)17-6-7-18(29-17)21(26)19-15(22)4-5-16(25)20(19)23/h4-10,14,24-25H,2-3H2,1H3
InChIKeyARYRCGSUJZWHTF-UHFFFAOYSA-N
XLogP4.84
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.50
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]-5-methylphenyl]cyclopropanesulfonamide?
The IUPAC name of N-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]-5-methylphenyl]cyclopropanesulfonamide (CID 122194416) is N-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]-5-methylphenyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]-5-methylphenyl]cyclopropanesulfonamide?
The canonical SMILES for N-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]-5-methylphenyl]cyclopropanesulfonamide is Cc1cc(NS(=O)(=O)C2CC2)cc(-c2ccc(C(=O)c3c(F)ccc(O)c3F)s2)c1.
What is the InChIKey of N-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]-5-methylphenyl]cyclopropanesulfonamide?
The InChIKey is ARYRCGSUJZWHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2NO4S2/c1-11-8-12(10-13(9-11)24-30(27,28)14-2-3-14)17-6-7-18(29-17)21(26)19-15(22)4-5-16(25)20(19)23/h4-10,14,24-25H,2-3H2,1H3.
What are the key properties of N-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]-5-methylphenyl]cyclopropanesulfonamide?
N-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]-5-methylphenyl]cyclopropanesulfonamide has a molecular weight of 449.50 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]-5-methylphenyl]cyclopropanesulfonamide is sourced from PubChem (CID 122194416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).