3-chloro-N-[3-(sulfamoylamino)phenyl]benzamide

C13H12ClN3O3S — CID 60729874

IUPAC3-chloro-N-[3-(sulfamoylamino)phenyl]benzamide
SMILESNS(=O)(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C13H12ClN3O3S/c14-10-4-1-3-9(7-10)13(18)16-11-5-2-6-12(8-11)17-21(15,19)20/h1-8,17H,(H,16,18)(H2,15,19,20)
InChIKeyODMOHWCINXJTSK-UHFFFAOYSA-N
MW325.78 g/mol
LogP2.21
Rot. Bonds4

About 3-chloro-N-[3-(sulfamoylamino)phenyl]benzamide

3-chloro-N-[3-(sulfamoylamino)phenyl]benzamide (PubChem CID 60729874) has the molecular formula C13H12ClN3O3S and a molecular weight of 325.78 g/mol. Its IUPAC name is 3-chloro-N-[3-(sulfamoylamino)phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[3-(sulfamoylamino)phenyl]benzamide
PubChem CID60729874
Molecular FormulaC13H12ClN3O3S
Molecular Weight325.78 g/mol
Exact Mass325.03
IUPAC Name3-chloro-N-[3-(sulfamoylamino)phenyl]benzamide
SMILESNS(=O)(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C13H12ClN3O3S/c14-10-4-1-3-9(7-10)13(18)16-11-5-2-6-12(8-11)17-21(15,19)20/h1-8,17H,(H,16,18)(H2,15,19,20)
InChIKeyODMOHWCINXJTSK-UHFFFAOYSA-N
XLogP2.21
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.78
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
3-chloro-N-(3-sulfamoylphenyl)benzamide
CID 26580558
3-chloro-N-(3-chloro-4-sulfamoylphenyl)benzamide
CID 43246493
N-(3-acetamidophenyl)-3-chlorobenzamide
CID 669190
3-N-(3-chlorophenyl)benzene-1,3-dicarboxamide
CID 35554073
3-(benzenesulfonamido)-N-(3-chlorophenyl)benzamide
CID 7541939
N-[3-(sulfamoylamino)phenyl]thiophene-3-carboxamide
CID 60728385
3-chloro-N-(3-methylphenyl)benzamide
CID 722373
3-[[3-[(3-chlorobenzoyl)amino]benzoyl]amino]benzoate
CID 3383614
2-bromo-N-[3-(sulfamoylamino)phenyl]pyridine-4-carboxamide
CID 103754216
N-[3-[(3-chlorobenzoyl)amino]phenyl]naphthalene-2-carboxamide
CID 1366118
3-chloro-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide
CID 17102477

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(sulfamoylamino)phenyl]benzamide?
The IUPAC name of 3-chloro-N-[3-(sulfamoylamino)phenyl]benzamide (CID 60729874) is 3-chloro-N-[3-(sulfamoylamino)phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[3-(sulfamoylamino)phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[3-(sulfamoylamino)phenyl]benzamide is NS(=O)(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1.
What is the InChIKey of 3-chloro-N-[3-(sulfamoylamino)phenyl]benzamide?
The InChIKey is ODMOHWCINXJTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O3S/c14-10-4-1-3-9(7-10)13(18)16-11-5-2-6-12(8-11)17-21(15,19)20/h1-8,17H,(H,16,18)(H2,15,19,20).
What are the key properties of 3-chloro-N-[3-(sulfamoylamino)phenyl]benzamide?
3-chloro-N-[3-(sulfamoylamino)phenyl]benzamide has a molecular weight of 325.78 g/mol, XLogP of 2.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(sulfamoylamino)phenyl]benzamide is sourced from PubChem (CID 60729874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).