4-(azepan-1-ylsulfonyl)-N-(3-fluorophenyl)benzamide

C19H21FN2O3S — CID 2665307

IUPAC4-(azepan-1-ylsulfonyl)-N-(3-fluorophenyl)benzamide
SMILESO=C(Nc1cccc(F)c1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1
InChIInChI=1S/C19H21FN2O3S/c20-16-6-5-7-17(14-16)21-19(23)15-8-10-18(11-9-15)26(24,25)22-12-3-1-2-4-13-22/h5-11,14H,1-4,12-13H2,(H,21,23)
InChIKeyWYIKMTVDULTYQW-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.64
Rot. Bonds4

About 4-(azepan-1-ylsulfonyl)-N-(3-fluorophenyl)benzamide

4-(azepan-1-ylsulfonyl)-N-(3-fluorophenyl)benzamide (PubChem CID 2665307) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is 4-(azepan-1-ylsulfonyl)-N-(3-fluorophenyl)benzamide.

Molecular Properties

Compound Name4-(azepan-1-ylsulfonyl)-N-(3-fluorophenyl)benzamide
PubChem CID2665307
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC Name4-(azepan-1-ylsulfonyl)-N-(3-fluorophenyl)benzamide
SMILESO=C(Nc1cccc(F)c1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1
InChIInChI=1S/C19H21FN2O3S/c20-16-6-5-7-17(14-16)21-19(23)15-8-10-18(11-9-15)26(24,25)22-12-3-1-2-4-13-22/h5-11,14H,1-4,12-13H2,(H,21,23)
InChIKeyWYIKMTVDULTYQW-UHFFFAOYSA-N
XLogP3.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azepan-1-ylsulfonyl)-N-(3-hydroxyphenyl)benzamide
CID 992235
3-[(4-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 1332672
4-(azepan-1-ylsulfonyl)-N-(3-chlorophenyl)benzamide
CID 2665161
4-(azepan-1-ylsulfonyl)-N-(3-methylphenyl)benzamide
CID 71904572
N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 2704882
N-(3-aminophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 28867144
4-bromo-N-(3-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 1101775
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
3,5-difluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 9415065
4-bromo-N-(3-fluorophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1341863
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
[2-(3-fluoroanilino)-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 2553567

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-ylsulfonyl)-N-(3-fluorophenyl)benzamide?
The IUPAC name of 4-(azepan-1-ylsulfonyl)-N-(3-fluorophenyl)benzamide (CID 2665307) is 4-(azepan-1-ylsulfonyl)-N-(3-fluorophenyl)benzamide.
What is the SMILES notation for 4-(azepan-1-ylsulfonyl)-N-(3-fluorophenyl)benzamide?
The canonical SMILES for 4-(azepan-1-ylsulfonyl)-N-(3-fluorophenyl)benzamide is O=C(Nc1cccc(F)c1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1.
What is the InChIKey of 4-(azepan-1-ylsulfonyl)-N-(3-fluorophenyl)benzamide?
The InChIKey is WYIKMTVDULTYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c20-16-6-5-7-17(14-16)21-19(23)15-8-10-18(11-9-15)26(24,25)22-12-3-1-2-4-13-22/h5-11,14H,1-4,12-13H2,(H,21,23).
What are the key properties of 4-(azepan-1-ylsulfonyl)-N-(3-fluorophenyl)benzamide?
4-(azepan-1-ylsulfonyl)-N-(3-fluorophenyl)benzamide has a molecular weight of 376.45 g/mol, XLogP of 3.64, 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-(3-fluorophenyl)benzamide is sourced from PubChem (CID 2665307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).