N-(3-amino-2,4-dimethylphenyl)-3,5-dichlorobenzenesulfonamide

C14H14Cl2N2O2S — CID 60971852

IUPACN-(3-amino-2,4-dimethylphenyl)-3,5-dichlorobenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)c(C)c1N
InChIInChI=1S/C14H14Cl2N2O2S/c1-8-3-4-13(9(2)14(8)17)18-21(19,20)12-6-10(15)5-11(16)7-12/h3-7,18H,17H2,1-2H3
InChIKeySLOYLIYQXQOXAX-UHFFFAOYSA-N
MW345.25 g/mol
LogP3.99
Rot. Bonds3

About N-(3-amino-2,4-dimethylphenyl)-3,5-dichlorobenzenesulfonamide

N-(3-amino-2,4-dimethylphenyl)-3,5-dichlorobenzenesulfonamide (PubChem CID 60971852) has the molecular formula C14H14Cl2N2O2S and a molecular weight of 345.25 g/mol. Its IUPAC name is N-(3-amino-2,4-dimethylphenyl)-3,5-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,4-dimethylphenyl)-3,5-dichlorobenzenesulfonamide
PubChem CID60971852
Molecular FormulaC14H14Cl2N2O2S
Molecular Weight345.25 g/mol
Exact Mass344.02
IUPAC NameN-(3-amino-2,4-dimethylphenyl)-3,5-dichlorobenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)c(C)c1N
InChIInChI=1S/C14H14Cl2N2O2S/c1-8-3-4-13(9(2)14(8)17)18-21(19,20)12-6-10(15)5-11(16)7-12/h3-7,18H,17H2,1-2H3
InChIKeySLOYLIYQXQOXAX-UHFFFAOYSA-N
XLogP3.99
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.25
LogP ≤ 53.99
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-2,4-dimethylphenyl)-3,5-dimethylbenzenesulfonamide
CID 60972705
N-(3-amino-2,4-dimethylphenyl)-4-chloro-2-fluorobenzenesulfonamide
CID 60973193
N-(3-amino-2,4-dimethylphenyl)-2-chloro-4-methylbenzenesulfonamide
CID 60971720
3-amino-N-(5-chloro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 28525479
3-amino-N-(4-chloro-2-methylphenyl)-5-methylbenzenesulfonamide
CID 43256506
3-amino-N-(5-chloro-2-methylphenyl)-5-methylbenzenesulfonamide
CID 43256500
3-amino-5-chloro-N-(2,4-dimethylphenyl)-4-methylbenzenesulfonamide
CID 29298879
3,5-dichloro-N-(2-hydroxyphenyl)benzenesulfonamide
CID 4993615
3-amino-5-chloro-N-(4-chloro-2-fluorophenyl)-4-methylbenzenesulfonamide
CID 61107975
3,5-dichloro-N-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 143337884
3-amino-N-(4-bromo-2-chlorophenyl)-4,5-dimethylbenzenesulfonamide
CID 43168118
3-amino-N-(5-chloro-2-methylphenyl)-5-fluorobenzenesulfonamide
CID 63321951

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,4-dimethylphenyl)-3,5-dichlorobenzenesulfonamide?
The IUPAC name of N-(3-amino-2,4-dimethylphenyl)-3,5-dichlorobenzenesulfonamide (CID 60971852) is N-(3-amino-2,4-dimethylphenyl)-3,5-dichlorobenzenesulfonamide.
What is the SMILES notation for N-(3-amino-2,4-dimethylphenyl)-3,5-dichlorobenzenesulfonamide?
The canonical SMILES for N-(3-amino-2,4-dimethylphenyl)-3,5-dichlorobenzenesulfonamide is Cc1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)c(C)c1N.
What is the InChIKey of N-(3-amino-2,4-dimethylphenyl)-3,5-dichlorobenzenesulfonamide?
The InChIKey is SLOYLIYQXQOXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2S/c1-8-3-4-13(9(2)14(8)17)18-21(19,20)12-6-10(15)5-11(16)7-12/h3-7,18H,17H2,1-2H3.
What are the key properties of N-(3-amino-2,4-dimethylphenyl)-3,5-dichlorobenzenesulfonamide?
N-(3-amino-2,4-dimethylphenyl)-3,5-dichlorobenzenesulfonamide has a molecular weight of 345.25 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,4-dimethylphenyl)-3,5-dichlorobenzenesulfonamide is sourced from PubChem (CID 60971852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).