5-(azepan-1-ylsulfonyl)-N-(4-chlorophenyl)-2-fluorobenzamide

C19H20ClFN2O3S — CID 4085587

IUPAC5-(azepan-1-ylsulfonyl)-N-(4-chlorophenyl)-2-fluorobenzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc(S(=O)(=O)N2CCCCCC2)ccc1F
InChIInChI=1S/C19H20ClFN2O3S/c20-14-5-7-15(8-6-14)22-19(24)17-13-16(9-10-18(17)21)27(25,26)23-11-3-1-2-4-12-23/h5-10,13H,1-4,11-12H2,(H,22,24)
InChIKeyQUZCAGHMMDCOKK-UHFFFAOYSA-N
MW410.90 g/mol
LogP4.30
Rot. Bonds4

About 5-(azepan-1-ylsulfonyl)-N-(4-chlorophenyl)-2-fluorobenzamide

5-(azepan-1-ylsulfonyl)-N-(4-chlorophenyl)-2-fluorobenzamide (PubChem CID 4085587) has the molecular formula C19H20ClFN2O3S and a molecular weight of 410.90 g/mol. Its IUPAC name is 5-(azepan-1-ylsulfonyl)-N-(4-chlorophenyl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-(azepan-1-ylsulfonyl)-N-(4-chlorophenyl)-2-fluorobenzamide
PubChem CID4085587
Molecular FormulaC19H20ClFN2O3S
Molecular Weight410.90 g/mol
Exact Mass410.09
IUPAC Name5-(azepan-1-ylsulfonyl)-N-(4-chlorophenyl)-2-fluorobenzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc(S(=O)(=O)N2CCCCCC2)ccc1F
InChIInChI=1S/C19H20ClFN2O3S/c20-14-5-7-15(8-6-14)22-19(24)17-13-16(9-10-18(17)21)27(25,26)23-11-3-1-2-4-12-23/h5-10,13H,1-4,11-12H2,(H,22,24)
InChIKeyQUZCAGHMMDCOKK-UHFFFAOYSA-N
XLogP4.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.90
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(4-chlorophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26087511
N-[4-(azepan-1-ylsulfonyl)phenyl]-2,4-dichlorobenzamide
CID 1010211
2,5-dichloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 3387472
2-fluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 1086858
N-(4-benzamidophenyl)-2-chloro-5-piperidin-1-ylsulfonylbenzamide
CID 1240122
1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-chlorophenyl)urea
CID 1011433
2-bromo-N-(3,4-difluorophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26694497
2-chloro-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 43882584
N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 43882515
2-fluoro-5-piperidin-1-ylsulfonyl-N-prop-2-enylbenzamide
CID 15993056
4-chloro-2-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 60594030
N-cyclopentyl-2-fluoro-5-piperidin-1-ylsulfonylbenzamide
CID 27261803

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-ylsulfonyl)-N-(4-chlorophenyl)-2-fluorobenzamide?
The IUPAC name of 5-(azepan-1-ylsulfonyl)-N-(4-chlorophenyl)-2-fluorobenzamide (CID 4085587) is 5-(azepan-1-ylsulfonyl)-N-(4-chlorophenyl)-2-fluorobenzamide.
What is the SMILES notation for 5-(azepan-1-ylsulfonyl)-N-(4-chlorophenyl)-2-fluorobenzamide?
The canonical SMILES for 5-(azepan-1-ylsulfonyl)-N-(4-chlorophenyl)-2-fluorobenzamide is O=C(Nc1ccc(Cl)cc1)c1cc(S(=O)(=O)N2CCCCCC2)ccc1F.
What is the InChIKey of 5-(azepan-1-ylsulfonyl)-N-(4-chlorophenyl)-2-fluorobenzamide?
The InChIKey is QUZCAGHMMDCOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O3S/c20-14-5-7-15(8-6-14)22-19(24)17-13-16(9-10-18(17)21)27(25,26)23-11-3-1-2-4-12-23/h5-10,13H,1-4,11-12H2,(H,22,24).
What are the key properties of 5-(azepan-1-ylsulfonyl)-N-(4-chlorophenyl)-2-fluorobenzamide?
5-(azepan-1-ylsulfonyl)-N-(4-chlorophenyl)-2-fluorobenzamide has a molecular weight of 410.90 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-1-ylsulfonyl)-N-(4-chlorophenyl)-2-fluorobenzamide is sourced from PubChem (CID 4085587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).