4-(azepan-1-ylsulfonyl)-N-(5-chloro-2-fluorophenyl)benzamide

C19H20ClFN2O3S — CID 8759383

IUPAC4-(azepan-1-ylsulfonyl)-N-(5-chloro-2-fluorophenyl)benzamide
SMILESO=C(Nc1cc(Cl)ccc1F)c1ccc(S(=O)(=O)N2CCCCCC2)cc1
InChIInChI=1S/C19H20ClFN2O3S/c20-15-7-10-17(21)18(13-15)22-19(24)14-5-8-16(9-6-14)27(25,26)23-11-3-1-2-4-12-23/h5-10,13H,1-4,11-12H2,(H,22,24)
InChIKeyAHQHXQNWHHXPHW-UHFFFAOYSA-N
MW410.90 g/mol
LogP4.30
Rot. Bonds4

About 4-(azepan-1-ylsulfonyl)-N-(5-chloro-2-fluorophenyl)benzamide

4-(azepan-1-ylsulfonyl)-N-(5-chloro-2-fluorophenyl)benzamide (PubChem CID 8759383) has the molecular formula C19H20ClFN2O3S and a molecular weight of 410.90 g/mol. Its IUPAC name is 4-(azepan-1-ylsulfonyl)-N-(5-chloro-2-fluorophenyl)benzamide.

Molecular Properties

Compound Name4-(azepan-1-ylsulfonyl)-N-(5-chloro-2-fluorophenyl)benzamide
PubChem CID8759383
Molecular FormulaC19H20ClFN2O3S
Molecular Weight410.90 g/mol
Exact Mass410.09
IUPAC Name4-(azepan-1-ylsulfonyl)-N-(5-chloro-2-fluorophenyl)benzamide
SMILESO=C(Nc1cc(Cl)ccc1F)c1ccc(S(=O)(=O)N2CCCCCC2)cc1
InChIInChI=1S/C19H20ClFN2O3S/c20-15-7-10-17(21)18(13-15)22-19(24)14-5-8-16(9-6-14)27(25,26)23-11-3-1-2-4-12-23/h5-10,13H,1-4,11-12H2,(H,22,24)
InChIKeyAHQHXQNWHHXPHW-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

N-(2-fluoro-5-nitrophenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 18267838
N-(2-chloro-4-fluorophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 4810789
N-(2,4-difluorophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 1355774
4-(azepan-1-ylsulfonyl)-N-(3-chlorophenyl)benzamide
CID 2665161
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide
CID 26893607
4-fluoro-N-(2-fluoro-4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 18893490
4-(azepan-1-ylsulfonyl)-N-(3-chloro-2-methylphenyl)benzamide
CID 1428600
3-(azepan-1-ylsulfonyl)-N-(2,5-difluorophenyl)benzamide
CID 2711406
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
4-(azepan-1-ylsulfonyl)-N-[2-[(4-chlorobenzoyl)amino]ethyl]benzamide
CID 34991413
N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 2704882
N-(2-chlorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26575157

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-ylsulfonyl)-N-(5-chloro-2-fluorophenyl)benzamide?
The IUPAC name of 4-(azepan-1-ylsulfonyl)-N-(5-chloro-2-fluorophenyl)benzamide (CID 8759383) is 4-(azepan-1-ylsulfonyl)-N-(5-chloro-2-fluorophenyl)benzamide.
What is the SMILES notation for 4-(azepan-1-ylsulfonyl)-N-(5-chloro-2-fluorophenyl)benzamide?
The canonical SMILES for 4-(azepan-1-ylsulfonyl)-N-(5-chloro-2-fluorophenyl)benzamide is O=C(Nc1cc(Cl)ccc1F)c1ccc(S(=O)(=O)N2CCCCCC2)cc1.
What is the InChIKey of 4-(azepan-1-ylsulfonyl)-N-(5-chloro-2-fluorophenyl)benzamide?
The InChIKey is AHQHXQNWHHXPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O3S/c20-15-7-10-17(21)18(13-15)22-19(24)14-5-8-16(9-6-14)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 4-(azepan-1-ylsulfonyl)-N-(5-chloro-2-fluorophenyl)benzamide?
4-(azepan-1-ylsulfonyl)-N-(5-chloro-2-fluorophenyl)benzamide 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 4-(azepan-1-ylsulfonyl)-N-(5-chloro-2-fluorophenyl)benzamide is sourced from PubChem (CID 8759383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).