3-amino-5-chloro-N-methyl-N-phenylbenzenesulfonamide

C13H13ClN2O2S — CID 23206269

IUPAC3-amino-5-chloro-N-methyl-N-phenylbenzenesulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cc(N)cc(Cl)c1
InChIInChI=1S/C13H13ClN2O2S/c1-16(12-5-3-2-4-6-12)19(17,18)13-8-10(14)7-11(15)9-13/h2-9H,15H2,1H3
InChIKeyQVPYTVVOHGKOBR-UHFFFAOYSA-N
MW296.78 g/mol
LogP2.75
Rot. Bonds3

About 3-amino-5-chloro-N-methyl-N-phenylbenzenesulfonamide

3-amino-5-chloro-N-methyl-N-phenylbenzenesulfonamide (PubChem CID 23206269) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is 3-amino-5-chloro-N-methyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-N-methyl-N-phenylbenzenesulfonamide
PubChem CID23206269
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC Name3-amino-5-chloro-N-methyl-N-phenylbenzenesulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cc(N)cc(Cl)c1
InChIInChI=1S/C13H13ClN2O2S/c1-16(12-5-3-2-4-6-12)19(17,18)13-8-10(14)7-11(15)9-13/h2-9H,15H2,1H3
InChIKeyQVPYTVVOHGKOBR-UHFFFAOYSA-N
XLogP2.75
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-5-chlorophenyl)-N-methylbenzenesulfonamide
CID 23206345
5-amino-N-methyl-N-phenylpyridine-3-sulfonamide
CID 82222998
N,N-diphenylbenzenesulfonamide;N-methyl-N-phenylbenzenesulfonamide
CID 158565705
6-chloro-N-methyl-N-phenylpyridine-3-sulfonamide
CID 2529980
N-(4-aminophenyl)-3,4-dichloro-N-methylbenzenesulfonamide
CID 43344069
3-amino-4-methoxy-N-methyl-N-phenylbenzenesulfonamide
CID 28542327
6-chloro-N,5-dimethyl-N-phenylpyridine-3-sulfonamide
CID 56805912
3-chloro-N,4-dimethyl-5-nitro-N-phenylbenzenesulfonamide
CID 8512046
2-chloro-5-[methyl(phenyl)sulfamoyl]-N,N-di(propan-2-yl)benzamide
CID 78843267
N-(3-chloro-5-nitrophenyl)-N-methylbenzenesulfonamide
CID 23206341
3-[methyl(phenyl)sulfamoyl]benzamide
CID 47102696
N-methyl-4-phenyl-N-(4-phenylphenyl)benzenesulfonamide
CID 141087488

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-N-methyl-N-phenylbenzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-N-methyl-N-phenylbenzenesulfonamide (CID 23206269) is 3-amino-5-chloro-N-methyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-N-methyl-N-phenylbenzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-N-methyl-N-phenylbenzenesulfonamide is CN(c1ccccc1)S(=O)(=O)c1cc(N)cc(Cl)c1.
What is the InChIKey of 3-amino-5-chloro-N-methyl-N-phenylbenzenesulfonamide?
The InChIKey is QVPYTVVOHGKOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c1-16(12-5-3-2-4-6-12)19(17,18)13-8-10(14)7-11(15)9-13/h2-9H,15H2,1H3.
What are the key properties of 3-amino-5-chloro-N-methyl-N-phenylbenzenesulfonamide?
3-amino-5-chloro-N-methyl-N-phenylbenzenesulfonamide has a molecular weight of 296.78 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-N-methyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 23206269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).