3-[(3-chlorophenyl)sulfamoyl]-N-[3-(hydroxymethyl)phenyl]benzamide

C20H17ClN2O4S — CID 9300326

IUPAC3-[(3-chlorophenyl)sulfamoyl]-N-[3-(hydroxymethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(CO)c1)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C20H17ClN2O4S/c21-16-6-3-8-18(12-16)23-28(26,27)19-9-2-5-15(11-19)20(25)22-17-7-1-4-14(10-17)13-24/h1-12,23-24H,13H2,(H,22,25)
InChIKeySIHAQYMHFZOTJN-UHFFFAOYSA-N
MW416.89 g/mol
LogP3.89
Rot. Bonds6

About 3-[(3-chlorophenyl)sulfamoyl]-N-[3-(hydroxymethyl)phenyl]benzamide

3-[(3-chlorophenyl)sulfamoyl]-N-[3-(hydroxymethyl)phenyl]benzamide (PubChem CID 9300326) has the molecular formula C20H17ClN2O4S and a molecular weight of 416.89 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)sulfamoyl]-N-[3-(hydroxymethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)sulfamoyl]-N-[3-(hydroxymethyl)phenyl]benzamide
PubChem CID9300326
Molecular FormulaC20H17ClN2O4S
Molecular Weight416.89 g/mol
Exact Mass416.06
IUPAC Name3-[(3-chlorophenyl)sulfamoyl]-N-[3-(hydroxymethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(CO)c1)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C20H17ClN2O4S/c21-16-6-3-8-18(12-16)23-28(26,27)19-9-2-5-15(11-19)20(25)22-17-7-1-4-14(10-17)13-24/h1-12,23-24H,13H2,(H,22,25)
InChIKeySIHAQYMHFZOTJN-UHFFFAOYSA-N
XLogP3.89
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.89
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(hydroxymethyl)phenyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 9164338
3-(benzenesulfonamido)-N-(3-chlorophenyl)benzamide
CID 7541939
N-(4-acetamido-3-chlorophenyl)-3-[(3-chlorophenyl)sulfamoyl]benzamide
CID 25471428
3-(benzylsulfamoyl)-N-[3-(hydroxymethyl)phenyl]benzamide
CID 9300349
3-[(3-chlorophenyl)sulfamoyl]-N-(2-hydroxyphenyl)benzamide
CID 24564068
2-[3-[[3-(phenylsulfamoyl)benzoyl]amino]phenyl]acetic acid
CID 142738812
3-[(3-chlorophenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26498991
2-[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 10296361
N-(5-acetamido-2-methylphenyl)-3-[(3-chlorophenyl)sulfamoyl]benzamide
CID 46454566
N-[3-(2-amino-2-oxoethyl)phenyl]-3-(phenylsulfamoyl)benzamide
CID 142738657
3-[(3-chlorophenyl)sulfamoyl]-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 24648789
3,5-dichloro-N-[3-(hydroxymethyl)phenyl]benzamide
CID 60629922

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)sulfamoyl]-N-[3-(hydroxymethyl)phenyl]benzamide?
The IUPAC name of 3-[(3-chlorophenyl)sulfamoyl]-N-[3-(hydroxymethyl)phenyl]benzamide (CID 9300326) is 3-[(3-chlorophenyl)sulfamoyl]-N-[3-(hydroxymethyl)phenyl]benzamide.
What is the SMILES notation for 3-[(3-chlorophenyl)sulfamoyl]-N-[3-(hydroxymethyl)phenyl]benzamide?
The canonical SMILES for 3-[(3-chlorophenyl)sulfamoyl]-N-[3-(hydroxymethyl)phenyl]benzamide is O=C(Nc1cccc(CO)c1)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1.
What is the InChIKey of 3-[(3-chlorophenyl)sulfamoyl]-N-[3-(hydroxymethyl)phenyl]benzamide?
The InChIKey is SIHAQYMHFZOTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O4S/c21-16-6-3-8-18(12-16)23-28(26,27)19-9-2-5-15(11-19)20(25)22-17-7-1-4-14(10-17)13-24/h1-12,23-24H,13H2,(H,22,25).
What are the key properties of 3-[(3-chlorophenyl)sulfamoyl]-N-[3-(hydroxymethyl)phenyl]benzamide?
3-[(3-chlorophenyl)sulfamoyl]-N-[3-(hydroxymethyl)phenyl]benzamide has a molecular weight of 416.89 g/mol, XLogP of 3.89, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)sulfamoyl]-N-[3-(hydroxymethyl)phenyl]benzamide is sourced from PubChem (CID 9300326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).