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

C19H22N2O4S — CID 1107134

IUPAC3-(azepan-1-ylsulfonyl)-N-(3-hydroxyphenyl)benzamide
SMILESO=C(Nc1cccc(O)c1)c1cccc(S(=O)(=O)N2CCCCCC2)c1
InChIInChI=1S/C19H22N2O4S/c22-17-9-6-8-16(14-17)20-19(23)15-7-5-10-18(13-15)26(24,25)21-11-3-1-2-4-12-21/h5-10,13-14,22H,1-4,11-12H2,(H,20,23)
InChIKeyNKJHZFGYPHFLOH-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.21
Rot. Bonds4

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

3-(azepan-1-ylsulfonyl)-N-(3-hydroxyphenyl)benzamide (PubChem CID 1107134) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 3-(azepan-1-ylsulfonyl)-N-(3-hydroxyphenyl)benzamide.

Molecular Properties

Compound Name3-(azepan-1-ylsulfonyl)-N-(3-hydroxyphenyl)benzamide
PubChem CID1107134
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name3-(azepan-1-ylsulfonyl)-N-(3-hydroxyphenyl)benzamide
SMILESO=C(Nc1cccc(O)c1)c1cccc(S(=O)(=O)N2CCCCCC2)c1
InChIInChI=1S/C19H22N2O4S/c22-17-9-6-8-16(14-17)20-19(23)15-7-5-10-18(13-15)26(24,25)21-11-3-1-2-4-12-21/h5-10,13-14,22H,1-4,11-12H2,(H,20,23)
InChIKeyNKJHZFGYPHFLOH-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

Analyze 3-(azepan-1-ylsulfonyl)-N-(3-hydroxyphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(Azepane-1-sulfonyl)-N-(3-hydroxy-phenyl)-4-methyl-benzamide
CID 1333163
N-(3-Hydroxy-phenyl)-3-(3-hydroxy-phenylsulfamoyl)-benzamide
CID 1069242
N-(4-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 3115504
4-fluoro-N-(3-methoxyphenyl)-3-(piperidin-1-ylsulfonyl)benzamide
CID 26914637
N-(3-Methoxy-phenyl)-4-(pyrrolidine-1-sulfonyl)-benzamide
CID 1164167
2-chloro-N-(3-hydroxyphenyl)-5-(pyrrolidine-1-sulfonyl)benzamide
CID 647560
N-(2-hydroxyphenyl)-3-(4-morpholinylsulfonyl)benzamide
CID 1087707
3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-hydroxyphenyl)benzamide
CID 1087788
N-(3-hydroxyphenyl)-4-[methyl(phenylsulfonyl)amino]benzamide
CID 1310433
4-{[(3-hydroxyphenyl)amino]sulfonyl}-N-phenylbenzamide
CID 2221592
4-(dimethylsulfamoyl)-N-(3-methoxyphenyl)benzamide
CID 4324618
N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-hydroxybenzamide
CID 164623293

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-ylsulfonyl)-N-(3-hydroxyphenyl)benzamide?
The IUPAC name of 3-(azepan-1-ylsulfonyl)-N-(3-hydroxyphenyl)benzamide (CID 1107134) is 3-(azepan-1-ylsulfonyl)-N-(3-hydroxyphenyl)benzamide.
What is the SMILES notation for 3-(azepan-1-ylsulfonyl)-N-(3-hydroxyphenyl)benzamide?
The canonical SMILES for 3-(azepan-1-ylsulfonyl)-N-(3-hydroxyphenyl)benzamide is O=C(Nc1cccc(O)c1)c1cccc(S(=O)(=O)N2CCCCCC2)c1.
What is the InChIKey of 3-(azepan-1-ylsulfonyl)-N-(3-hydroxyphenyl)benzamide?
The InChIKey is NKJHZFGYPHFLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c22-17-9-6-8-16(14-17)20-19(23)15-7-5-10-18(13-15)26(24,25)21-11-3-1-2-4-12-21/h5-10,13-14,22H,1-4,11-12H2,(H,20,23).
What are the key properties of 3-(azepan-1-ylsulfonyl)-N-(3-hydroxyphenyl)benzamide?
3-(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 3-(azepan-1-ylsulfonyl)-N-(3-hydroxyphenyl)benzamide is sourced from PubChem (CID 1107134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).