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

C19H22N2O4S — CID 992235

IUPAC4-(azepan-1-ylsulfonyl)-N-(3-hydroxyphenyl)benzamide
SMILESO=C(Nc1cccc(O)c1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1
InChIInChI=1S/C19H22N2O4S/c22-17-7-5-6-16(14-17)20-19(23)15-8-10-18(11-9-15)26(24,25)21-12-3-1-2-4-13-21/h5-11,14,22H,1-4,12-13H2,(H,20,23)
InChIKeyFYNHEYOJJSVLLB-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.21
Rot. Bonds4

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

4-(azepan-1-ylsulfonyl)-N-(3-hydroxyphenyl)benzamide (PubChem CID 992235) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 4-(azepan-1-ylsulfonyl)-N-(3-hydroxyphenyl)benzamide.

Molecular Properties

Compound Name4-(azepan-1-ylsulfonyl)-N-(3-hydroxyphenyl)benzamide
PubChem CID992235
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name4-(azepan-1-ylsulfonyl)-N-(3-hydroxyphenyl)benzamide
SMILESO=C(Nc1cccc(O)c1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1
InChIInChI=1S/C19H22N2O4S/c22-17-7-5-6-16(14-17)20-19(23)15-8-10-18(11-9-15)26(24,25)21-12-3-1-2-4-13-21/h5-11,14,22H,1-4,12-13H2,(H,20,23)
InChIKeyFYNHEYOJJSVLLB-UHFFFAOYSA-N
XLogP3.21
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
4-(azepan-1-ylsulfonyl)-N-(3-fluorophenyl)benzamide
CID 2665307
N-(3-aminophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 28867144
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
N-(3-cyanophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2710397
N-naphthalen-2-yl-4-piperidin-1-ylsulfonylbenzamide
CID 4081261
N-[3-(azepan-1-ylsulfonyl)phenyl]-4-tert-butylbenzamide
CID 7929786
4-(azepan-1-ylsulfonyl)-N-[4-[4-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]phenyl]phenyl]benzamide
CID 3537523
N-naphthalen-2-yl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2315784

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-ylsulfonyl)-N-(3-hydroxyphenyl)benzamide?
The IUPAC name of 4-(azepan-1-ylsulfonyl)-N-(3-hydroxyphenyl)benzamide (CID 992235) is 4-(azepan-1-ylsulfonyl)-N-(3-hydroxyphenyl)benzamide.
What is the SMILES notation for 4-(azepan-1-ylsulfonyl)-N-(3-hydroxyphenyl)benzamide?
The canonical SMILES for 4-(azepan-1-ylsulfonyl)-N-(3-hydroxyphenyl)benzamide is O=C(Nc1cccc(O)c1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1.
What is the InChIKey of 4-(azepan-1-ylsulfonyl)-N-(3-hydroxyphenyl)benzamide?
The InChIKey is FYNHEYOJJSVLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c22-17-7-5-6-16(14-17)20-19(23)15-8-10-18(11-9-15)26(24,25)21-12-3-1-2-4-13-21/h5-11,14,22H,1-4,12-13H2,(H,20,23).
What are the key properties of 4-(azepan-1-ylsulfonyl)-N-(3-hydroxyphenyl)benzamide?
4-(azepan-1-ylsulfonyl)-N-(3-hydroxyphenyl)benzamide has a molecular weight of 374.46 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-ylsulfonyl)-N-(3-hydroxyphenyl)benzamide is sourced from PubChem (CID 992235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).