5-amino-N-methyl-2-(3-methylanilino)benzenesulfonamide

C14H17N3O2S — CID 103286682

IUPAC5-amino-N-methyl-2-(3-methylanilino)benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1Nc1cccc(C)c1
InChIInChI=1S/C14H17N3O2S/c1-10-4-3-5-12(8-10)17-13-7-6-11(15)9-14(13)20(18,19)16-2/h3-9,16-17H,15H2,1-2H3
InChIKeyVDZGQHPQLJTGMH-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.23
Rot. Bonds4

About 5-amino-N-methyl-2-(3-methylanilino)benzenesulfonamide

5-amino-N-methyl-2-(3-methylanilino)benzenesulfonamide (PubChem CID 103286682) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 5-amino-N-methyl-2-(3-methylanilino)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-methyl-2-(3-methylanilino)benzenesulfonamide
PubChem CID103286682
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name5-amino-N-methyl-2-(3-methylanilino)benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1Nc1cccc(C)c1
InChIInChI=1S/C14H17N3O2S/c1-10-4-3-5-12(8-10)17-13-7-6-11(15)9-14(13)20(18,19)16-2/h3-9,16-17H,15H2,1-2H3
InChIKeyVDZGQHPQLJTGMH-UHFFFAOYSA-N
XLogP2.23
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.23
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

5-amino-2-(4-fluoro-3-methylanilino)-N-methylbenzenesulfonamide
CID 103287011
5-amino-2-(4-bromo-3-chloroanilino)-N-methylbenzenesulfonamide
CID 107618570
5-amino-N-methyl-2-(2-methylanilino)benzenesulfonamide
CID 103286687
5-amino-2-(2,6-difluoroanilino)-N-methylbenzenesulfonamide
CID 103286692
2-methyl-1-N-(3-methylphenyl)benzene-1,4-diamine
CID 43165599
5-amino-2-(2-bromo-6-fluoroanilino)-N-methylbenzenesulfonamide
CID 107596756
4-methyl-3-N-(3-methylphenyl)benzene-1,3-diamine
CID 62588854
4-methanimidoyl-3-N-(3-methylphenyl)benzene-1,3-diamine
CID 155713764
5-amino-2-bromo-N-methylbenzenesulfonamide
CID 65201802
4-amino-2-bromo-N-(3-methylphenyl)benzenesulfonamide
CID 43255899
3-amino-4-(3-methylanilino)benzenesulfonamide
CID 43153464
4-N-(3-methylphenyl)benzene-1,4-diamine
CID 4764078

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-2-(3-methylanilino)benzenesulfonamide?
The IUPAC name of 5-amino-N-methyl-2-(3-methylanilino)benzenesulfonamide (CID 103286682) is 5-amino-N-methyl-2-(3-methylanilino)benzenesulfonamide.
What is the SMILES notation for 5-amino-N-methyl-2-(3-methylanilino)benzenesulfonamide?
The canonical SMILES for 5-amino-N-methyl-2-(3-methylanilino)benzenesulfonamide is CNS(=O)(=O)c1cc(N)ccc1Nc1cccc(C)c1.
What is the InChIKey of 5-amino-N-methyl-2-(3-methylanilino)benzenesulfonamide?
The InChIKey is VDZGQHPQLJTGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-10-4-3-5-12(8-10)17-13-7-6-11(15)9-14(13)20(18,19)16-2/h3-9,16-17H,15H2,1-2H3.
What are the key properties of 5-amino-N-methyl-2-(3-methylanilino)benzenesulfonamide?
5-amino-N-methyl-2-(3-methylanilino)benzenesulfonamide has a molecular weight of 291.38 g/mol, XLogP of 2.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-2-(3-methylanilino)benzenesulfonamide is sourced from PubChem (CID 103286682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).