N-(3-amino-5-chlorophenyl)-N-methylbenzenesulfonamide

C13H13ClN2O2S — CID 23206345

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

About N-(3-amino-5-chlorophenyl)-N-methylbenzenesulfonamide

N-(3-amino-5-chlorophenyl)-N-methylbenzenesulfonamide (PubChem CID 23206345) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is N-(3-amino-5-chlorophenyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-5-chlorophenyl)-N-methylbenzenesulfonamide
PubChem CID23206345
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC NameN-(3-amino-5-chlorophenyl)-N-methylbenzenesulfonamide
SMILESCN(c1cc(N)cc(Cl)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H13ClN2O2S/c1-16(12-8-10(14)7-11(15)9-12)19(17,18)13-5-3-2-4-6-13/h2-9H,15H2,1H3
InChIKeySUSZPSPHAYNFGF-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

3-amino-5-chloro-N-methyl-N-phenylbenzenesulfonamide
CID 23206269
N-(3-chloro-5-nitrophenyl)-N-methylbenzenesulfonamide
CID 23206341
N,N-diphenylbenzenesulfonamide;N-methyl-N-phenylbenzenesulfonamide
CID 158565705
N-(4-bromophenyl)-N-methylbenzenesulfonamide
CID 5171346
N-(3-fluorophenyl)-N-methylbenzenesulfonamide
CID 64585359
5-amino-N-methyl-N-phenylpyridine-3-sulfonamide
CID 82222998
N-(3-aminophenyl)-3-bromo-N-methylbenzenesulfonamide
CID 61297692
N-methyl-4-phenyl-N-(4-phenylphenyl)benzenesulfonamide
CID 141087488
3-[benzenesulfonyl(methyl)amino]benzenecarbothioamide
CID 62969302
4-[benzenesulfonyl(methyl)amino]benzoic acid
CID 804306
N-(4-aminophenyl)-3,4-dichloro-N-methylbenzenesulfonamide
CID 43344069
2,5-dichloro-N-(3,5-dichlorophenyl)-N-methylbenzenesulfonamide
CID 100507274

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-5-chlorophenyl)-N-methylbenzenesulfonamide?
The IUPAC name of N-(3-amino-5-chlorophenyl)-N-methylbenzenesulfonamide (CID 23206345) is N-(3-amino-5-chlorophenyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-amino-5-chlorophenyl)-N-methylbenzenesulfonamide?
The canonical SMILES for N-(3-amino-5-chlorophenyl)-N-methylbenzenesulfonamide is CN(c1cc(N)cc(Cl)c1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(3-amino-5-chlorophenyl)-N-methylbenzenesulfonamide?
The InChIKey is SUSZPSPHAYNFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c1-16(12-8-10(14)7-11(15)9-12)19(17,18)13-5-3-2-4-6-13/h2-9H,15H2,1H3.
What are the key properties of N-(3-amino-5-chlorophenyl)-N-methylbenzenesulfonamide?
N-(3-amino-5-chlorophenyl)-N-methylbenzenesulfonamide 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 N-(3-amino-5-chlorophenyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 23206345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).