N-(3-amino-2-methylphenyl)-4-chloro-2-methylbenzenesulfonamide

C14H15ClN2O2S — CID 43605104

IUPACN-(3-amino-2-methylphenyl)-4-chloro-2-methylbenzenesulfonamide
SMILESCc1cc(Cl)ccc1S(=O)(=O)Nc1cccc(N)c1C
InChIInChI=1S/C14H15ClN2O2S/c1-9-8-11(15)6-7-14(9)20(18,19)17-13-5-3-4-12(16)10(13)2/h3-8,17H,16H2,1-2H3
InChIKeyXLRSQQPZQJIBCE-UHFFFAOYSA-N
MW310.81 g/mol
LogP3.34
Rot. Bonds3

About N-(3-amino-2-methylphenyl)-4-chloro-2-methylbenzenesulfonamide

N-(3-amino-2-methylphenyl)-4-chloro-2-methylbenzenesulfonamide (PubChem CID 43605104) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is N-(3-amino-2-methylphenyl)-4-chloro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-2-methylphenyl)-4-chloro-2-methylbenzenesulfonamide
PubChem CID43605104
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC NameN-(3-amino-2-methylphenyl)-4-chloro-2-methylbenzenesulfonamide
SMILESCc1cc(Cl)ccc1S(=O)(=O)Nc1cccc(N)c1C
InChIInChI=1S/C14H15ClN2O2S/c1-9-8-11(15)6-7-14(9)20(18,19)17-13-5-3-4-12(16)10(13)2/h3-8,17H,16H2,1-2H3
InChIKeyXLRSQQPZQJIBCE-UHFFFAOYSA-N
XLogP3.34
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-2-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43167106
N-(5-amino-2-fluorophenyl)-4-chloro-2-methylbenzenesulfonamide
CID 43604953
4-chloro-N-(2,5-dimethylphenyl)-2-methylbenzenesulfonamide
CID 47308842
N-(3-amino-2,4-dimethylphenyl)-4-chloro-2-fluorobenzenesulfonamide
CID 60973193
4-chloro-N-(3,5-dichlorophenyl)-2-methylbenzenesulfonamide
CID 123943887
N-(3-amino-2-methylphenyl)-2-nitrobenzenesulfonamide
CID 43605074
N-(2-aminophenyl)-2,5-dichlorobenzenesulfonamide
CID 43344025
2-amino-N-(5-chloro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 29298955
2-amino-N-(2,5-dichlorophenyl)-6-methylbenzenesulfonamide
CID 43452435
2-amino-4-chloro-N-(2-ethylphenyl)benzenesulfonamide
CID 28524364
2-amino-N-(2,4-dichlorophenyl)-6-methylbenzenesulfonamide
CID 43452452
5-chloro-N-(3-chloro-2-fluorophenyl)-2-methylbenzenesulfonamide
CID 38890087

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylphenyl)-4-chloro-2-methylbenzenesulfonamide?
The IUPAC name of N-(3-amino-2-methylphenyl)-4-chloro-2-methylbenzenesulfonamide (CID 43605104) is N-(3-amino-2-methylphenyl)-4-chloro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-amino-2-methylphenyl)-4-chloro-2-methylbenzenesulfonamide?
The canonical SMILES for N-(3-amino-2-methylphenyl)-4-chloro-2-methylbenzenesulfonamide is Cc1cc(Cl)ccc1S(=O)(=O)Nc1cccc(N)c1C.
What is the InChIKey of N-(3-amino-2-methylphenyl)-4-chloro-2-methylbenzenesulfonamide?
The InChIKey is XLRSQQPZQJIBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-9-8-11(15)6-7-14(9)20(18,19)17-13-5-3-4-12(16)10(13)2/h3-8,17H,16H2,1-2H3.
What are the key properties of N-(3-amino-2-methylphenyl)-4-chloro-2-methylbenzenesulfonamide?
N-(3-amino-2-methylphenyl)-4-chloro-2-methylbenzenesulfonamide has a molecular weight of 310.81 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylphenyl)-4-chloro-2-methylbenzenesulfonamide is sourced from PubChem (CID 43605104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).