3-amino-N-(5-chloro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide

C15H17ClN2O2S — CID 28525479

IUPAC3-amino-N-(5-chloro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide
SMILESCc1ccc(Cl)cc1NS(=O)(=O)c1cc(C)c(C)c(N)c1
InChIInChI=1S/C15H17ClN2O2S/c1-9-4-5-12(16)7-15(9)18-21(19,20)13-6-10(2)11(3)14(17)8-13/h4-8,18H,17H2,1-3H3
InChIKeyZZQPNUIRRTUZQH-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.65
Rot. Bonds3

About 3-amino-N-(5-chloro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide

3-amino-N-(5-chloro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide (PubChem CID 28525479) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 3-amino-N-(5-chloro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(5-chloro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide
PubChem CID28525479
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name3-amino-N-(5-chloro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide
SMILESCc1ccc(Cl)cc1NS(=O)(=O)c1cc(C)c(C)c(N)c1
InChIInChI=1S/C15H17ClN2O2S/c1-9-4-5-12(16)7-15(9)18-21(19,20)13-6-10(2)11(3)14(17)8-13/h4-8,18H,17H2,1-3H3
InChIKeyZZQPNUIRRTUZQH-UHFFFAOYSA-N
XLogP3.65
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 53.65
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

3-amino-N-(4-chlorophenyl)-4,5-dimethylbenzenesulfonamide
CID 29276916
3-amino-4-bromo-N-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 115328687
N-(5-chloro-2-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 2697102
3-amino-N-(5-chloro-2-methylphenyl)-5-methylbenzenesulfonamide
CID 43256500
3-amino-N-(4-bromo-2-chlorophenyl)-4,5-dimethylbenzenesulfonamide
CID 43168118
3-amino-N-(5-chloro-2-methylphenyl)-5-fluorobenzenesulfonamide
CID 63321951
3-amino-N-(2-fluorophenyl)-4,5-dimethylbenzenesulfonamide
CID 28536061
2-amino-N-(5-chloro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 29298955
3-amino-5-chloro-N-(4-chloro-2-fluorophenyl)-4-methylbenzenesulfonamide
CID 61107975
2-amino-4,6-dichloro-N-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 43256501
3-amino-N-(4-fluoro-3-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 62809980
3-amino-N-(4-chloro-3-fluorophenyl)-4,5-dimethylbenzenesulfonamide
CID 61467057

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-chloro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(5-chloro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide (CID 28525479) is 3-amino-N-(5-chloro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(5-chloro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(5-chloro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide is Cc1ccc(Cl)cc1NS(=O)(=O)c1cc(C)c(C)c(N)c1.
What is the InChIKey of 3-amino-N-(5-chloro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide?
The InChIKey is ZZQPNUIRRTUZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-9-4-5-12(16)7-15(9)18-21(19,20)13-6-10(2)11(3)14(17)8-13/h4-8,18H,17H2,1-3H3.
What are the key properties of 3-amino-N-(5-chloro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide?
3-amino-N-(5-chloro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide has a molecular weight of 324.83 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-chloro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 28525479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).