3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-hydroxyphenyl)benzamide

C19H21ClN2O4S — CID 1087788

IUPAC3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-hydroxyphenyl)benzamide
SMILESO=C(Nc1ccccc1O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1
InChIInChI=1S/C19H21ClN2O4S/c20-15-10-9-14(19(24)21-16-7-3-4-8-17(16)23)13-18(15)27(25,26)22-11-5-1-2-6-12-22/h3-4,7-10,13,23H,1-2,5-6,11-12H2,(H,21,24)
InChIKeyGCUYAWPJTIMKNJ-UHFFFAOYSA-N
MW408.91 g/mol
LogP3.86
Rot. Bonds4

About 3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-hydroxyphenyl)benzamide

3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-hydroxyphenyl)benzamide (PubChem CID 1087788) has the molecular formula C19H21ClN2O4S and a molecular weight of 408.91 g/mol. Its IUPAC name is 3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-hydroxyphenyl)benzamide.

Molecular Properties

Compound Name3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-hydroxyphenyl)benzamide
PubChem CID1087788
Molecular FormulaC19H21ClN2O4S
Molecular Weight408.91 g/mol
Exact Mass408.09
IUPAC Name3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-hydroxyphenyl)benzamide
SMILESO=C(Nc1ccccc1O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1
InChIInChI=1S/C19H21ClN2O4S/c20-15-10-9-14(19(24)21-16-7-3-4-8-17(16)23)13-18(15)27(25,26)22-11-5-1-2-6-12-22/h3-4,7-10,13,23H,1-2,5-6,11-12H2,(H,21,24)
InChIKeyGCUYAWPJTIMKNJ-UHFFFAOYSA-N
XLogP3.86
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.91
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[5-[(2-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2,4-difluorobenzamide
CID 4129647
3-[[[3-(1-Azepanylsulfonyl)-4-chlorophenyl]-oxomethyl]amino]benzoic acid
CID 1251694
N-(5-chloro-2-hydroxyphenyl)-3-[(dimethylamino)sulfonyl]benzamide
CID 1262342
2-Chloro-N-(2-hydroxy-phenyl)-5-(morpholine-4-sulfonyl)-benzamide
CID 649929
N-(2-hydroxyphenyl)-3-(4-morpholinylsulfonyl)benzamide
CID 1087707
2,4-dichloro-N-(2-hydroxyphenyl)-5-morpholinosulfonyl-benzamide
CID 1087710
2-chloro-N-(2-hydroxyphenyl)-5-(1-pyrrolidinylsulfonyl)benzamide
CID 1316792
4-chloro-N-(2-methoxyphenyl)-3-(piperidin-1-ylsulfonyl)benzamide
CID 2704849
4-(1-azepanylsulfonyl)-N-[5-[(4-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]benzamide
CID 4659956
N-(2-chlorophenyl)-3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 25162618
4-[3-(Azepane-1-sulfonyl)-4-chlorobenzamido]benzoic acid
CID 1514712
[4-Chloro-3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 2594952

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-hydroxyphenyl)benzamide?
The IUPAC name of 3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-hydroxyphenyl)benzamide (CID 1087788) is 3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-hydroxyphenyl)benzamide.
What is the SMILES notation for 3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-hydroxyphenyl)benzamide?
The canonical SMILES for 3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-hydroxyphenyl)benzamide is O=C(Nc1ccccc1O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1.
What is the InChIKey of 3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-hydroxyphenyl)benzamide?
The InChIKey is GCUYAWPJTIMKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4S/c20-15-10-9-14(19(24)21-16-7-3-4-8-17(16)23)13-18(15)27(25,26)22-11-5-1-2-6-12-22/h3-4,7-10,13,23H,1-2,5-6,11-12H2,(H,21,24).
What are the key properties of 3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-hydroxyphenyl)benzamide?
3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-hydroxyphenyl)benzamide has a molecular weight of 408.91 g/mol, XLogP of 3.86, 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)-4-chloro-N-(2-hydroxyphenyl)benzamide is sourced from PubChem (CID 1087788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).