4-amino-3-(2-chloro-5-methylanilino)-N-methylbenzenesulfonamide

C14H16ClN3O2S — CID 107633993

IUPAC4-amino-3-(2-chloro-5-methylanilino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(Nc2cc(C)ccc2Cl)c1
InChIInChI=1S/C14H16ClN3O2S/c1-9-3-5-11(15)13(7-9)18-14-8-10(4-6-12(14)16)21(19,20)17-2/h3-8,17-18H,16H2,1-2H3
InChIKeyVROWVQFSMMGRGD-UHFFFAOYSA-N
MW325.82 g/mol
LogP2.88
Rot. Bonds4

About 4-amino-3-(2-chloro-5-methylanilino)-N-methylbenzenesulfonamide

4-amino-3-(2-chloro-5-methylanilino)-N-methylbenzenesulfonamide (PubChem CID 107633993) has the molecular formula C14H16ClN3O2S and a molecular weight of 325.82 g/mol. Its IUPAC name is 4-amino-3-(2-chloro-5-methylanilino)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(2-chloro-5-methylanilino)-N-methylbenzenesulfonamide
PubChem CID107633993
Molecular FormulaC14H16ClN3O2S
Molecular Weight325.82 g/mol
Exact Mass325.07
IUPAC Name4-amino-3-(2-chloro-5-methylanilino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(Nc2cc(C)ccc2Cl)c1
InChIInChI=1S/C14H16ClN3O2S/c1-9-3-5-11(15)13(7-9)18-14-8-10(4-6-12(14)16)21(19,20)17-2/h3-8,17-18H,16H2,1-2H3
InChIKeyVROWVQFSMMGRGD-UHFFFAOYSA-N
XLogP2.88
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-(4-chloro-3-fluoroanilino)-N-methylbenzenesulfonamide
CID 82898391
N-(2-amino-5-methylphenyl)-3-bromo-4-chlorobenzenesulfonamide
CID 106605096
3-amino-4-(2,5-dimethylanilino)-N-methylbenzenesulfonamide
CID 43449178
4-amino-3-(4-bromoanilino)-N-methylbenzenesulfonamide
CID 82899071
4-amino-3-(4-ethylanilino)-N-methylbenzenesulfonamide
CID 82899653
4-chloro-N,3-dimethylbenzenesulfonamide
CID 50876568
4-methyl-2-N-(methylsulfamoyl)benzene-1,2-diamine
CID 114804948
3-amino-4-chloro-N-(2-chloro-4-methylphenyl)benzenesulfonamide
CID 28967482
4-chloro-2-N-(2-chloro-4-methylphenyl)benzene-1,2-diamine
CID 115468574
N-(2-amino-5-methylphenyl)-2-chlorobenzenesulfonamide
CID 112557510
4-amino-N-methyl-3-[(2-methylcyclopropyl)amino]benzenesulfonamide
CID 82898673
4-amino-3-(3-methoxyanilino)-N-methylbenzenesulfonamide
CID 82899659

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-chloro-5-methylanilino)-N-methylbenzenesulfonamide?
The IUPAC name of 4-amino-3-(2-chloro-5-methylanilino)-N-methylbenzenesulfonamide (CID 107633993) is 4-amino-3-(2-chloro-5-methylanilino)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-3-(2-chloro-5-methylanilino)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-3-(2-chloro-5-methylanilino)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(N)c(Nc2cc(C)ccc2Cl)c1.
What is the InChIKey of 4-amino-3-(2-chloro-5-methylanilino)-N-methylbenzenesulfonamide?
The InChIKey is VROWVQFSMMGRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S/c1-9-3-5-11(15)13(7-9)18-14-8-10(4-6-12(14)16)21(19,20)17-2/h3-8,17-18H,16H2,1-2H3.
What are the key properties of 4-amino-3-(2-chloro-5-methylanilino)-N-methylbenzenesulfonamide?
4-amino-3-(2-chloro-5-methylanilino)-N-methylbenzenesulfonamide has a molecular weight of 325.82 g/mol, XLogP of 2.88, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-chloro-5-methylanilino)-N-methylbenzenesulfonamide is sourced from PubChem (CID 107633993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).