2-amino-4-(2-methylanilino)benzenesulfonamide

C13H15N3O2S — CID 79466882

IUPAC2-amino-4-(2-methylanilino)benzenesulfonamide
SMILESCc1ccccc1Nc1ccc(S(N)(=O)=O)c(N)c1
InChIInChI=1S/C13H15N3O2S/c1-9-4-2-3-5-12(9)16-10-6-7-13(11(14)8-10)19(15,17)18/h2-8,16H,14H2,1H3,(H2,15,17,18)
InChIKeyHWKBQWDUMVDOPL-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.97
Rot. Bonds3

About 2-amino-4-(2-methylanilino)benzenesulfonamide

2-amino-4-(2-methylanilino)benzenesulfonamide (PubChem CID 79466882) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-amino-4-(2-methylanilino)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-(2-methylanilino)benzenesulfonamide
PubChem CID79466882
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name2-amino-4-(2-methylanilino)benzenesulfonamide
SMILESCc1ccccc1Nc1ccc(S(N)(=O)=O)c(N)c1
InChIInChI=1S/C13H15N3O2S/c1-9-4-2-3-5-12(9)16-10-6-7-13(11(14)8-10)19(15,17)18/h2-8,16H,14H2,1H3,(H2,15,17,18)
InChIKeyHWKBQWDUMVDOPL-UHFFFAOYSA-N
XLogP1.97
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.97
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

2-amino-4-(2,5-dibromoanilino)benzenesulfonamide
CID 79467601
2-amino-4-[[4-chloro-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid
CID 20645251
2-amino-4-(ethylamino)benzenesulfonamide
CID 79466329
2-amino-4-(5-bromo-2-methoxyanilino)benzenesulfonamide
CID 79466769
2-amino-4-(4-bromo-2-chloroanilino)benzenesulfonamide
CID 79466509
2-amino-3-(3-chloro-4-methylanilino)benzenesulfonamide
CID 115992284
2-amino-4-(thiophen-3-ylamino)benzenesulfonamide
CID 79466458
2-amino-5-(2-methylanilino)benzonitrile
CID 113323831
4-(2-methylanilino)benzenesulfonic acid
CID 53426443
4-N-(2-bromophenyl)-2-methylbenzene-1,4-diamine
CID 43436298
2-amino-4-(2-cyano-4-fluoroanilino)benzenesulfonamide
CID 82015079
2-amino-4-[(1-methylpyrazol-4-yl)amino]benzenesulfonamide
CID 79770383

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-methylanilino)benzenesulfonamide?
The IUPAC name of 2-amino-4-(2-methylanilino)benzenesulfonamide (CID 79466882) is 2-amino-4-(2-methylanilino)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-(2-methylanilino)benzenesulfonamide?
The canonical SMILES for 2-amino-4-(2-methylanilino)benzenesulfonamide is Cc1ccccc1Nc1ccc(S(N)(=O)=O)c(N)c1.
What is the InChIKey of 2-amino-4-(2-methylanilino)benzenesulfonamide?
The InChIKey is HWKBQWDUMVDOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-9-4-2-3-5-12(9)16-10-6-7-13(11(14)8-10)19(15,17)18/h2-8,16H,14H2,1H3,(H2,15,17,18).
What are the key properties of 2-amino-4-(2-methylanilino)benzenesulfonamide?
2-amino-4-(2-methylanilino)benzenesulfonamide has a molecular weight of 277.35 g/mol, XLogP of 1.97, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-methylanilino)benzenesulfonamide is sourced from PubChem (CID 79466882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).