4-amino-3-(3-methoxyanilino)-N-methylbenzenesulfonamide

C14H17N3O3S — CID 82899659

IUPAC4-amino-3-(3-methoxyanilino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(Nc2cccc(OC)c2)c1
InChIInChI=1S/C14H17N3O3S/c1-16-21(18,19)12-6-7-13(15)14(9-12)17-10-4-3-5-11(8-10)20-2/h3-9,16-17H,15H2,1-2H3
InChIKeyXFSLGILCVDOXPB-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.93
Rot. Bonds5

About 4-amino-3-(3-methoxyanilino)-N-methylbenzenesulfonamide

4-amino-3-(3-methoxyanilino)-N-methylbenzenesulfonamide (PubChem CID 82899659) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 4-amino-3-(3-methoxyanilino)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(3-methoxyanilino)-N-methylbenzenesulfonamide
PubChem CID82899659
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name4-amino-3-(3-methoxyanilino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(Nc2cccc(OC)c2)c1
InChIInChI=1S/C14H17N3O3S/c1-16-21(18,19)12-6-7-13(15)14(9-12)17-10-4-3-5-11(8-10)20-2/h3-9,16-17H,15H2,1-2H3
InChIKeyXFSLGILCVDOXPB-UHFFFAOYSA-N
XLogP1.93
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-(4-bromoanilino)-N-methylbenzenesulfonamide
CID 82899071
4-amino-3-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
CID 82843846
4-amino-3-(4-ethylanilino)-N-methylbenzenesulfonamide
CID 82899653
4-amino-3-(4-chloro-3-fluoroanilino)-N-methylbenzenesulfonamide
CID 82898391
3-N-(3-methoxyphenyl)-2-methylbenzene-1,3-diamine
CID 63077298
1-N,2-N-bis(3-methoxyphenyl)benzene-1,2-diamine
CID 19351985
4-amino-3-(4-methoxyphenyl)sulfanyl-N-methylbenzenesulfonamide
CID 82901760
4-amino-3-(3-methoxypropylamino)-N-methylbenzenesulfonamide
CID 82898084
4-N-(3-methoxyphenyl)pyridine-3,4-diamine
CID 29067426
4-methoxy-2-N-(4-methoxyphenyl)benzene-1,2-diamine
CID 69243063
3-N-(3-methoxyphenyl)benzene-1,3-disulfonamide
CID 31064512
1-[3-amino-4-(3-methoxyanilino)phenyl]ethanone
CID 82482529

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3-methoxyanilino)-N-methylbenzenesulfonamide?
The IUPAC name of 4-amino-3-(3-methoxyanilino)-N-methylbenzenesulfonamide (CID 82899659) is 4-amino-3-(3-methoxyanilino)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-3-(3-methoxyanilino)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-3-(3-methoxyanilino)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(N)c(Nc2cccc(OC)c2)c1.
What is the InChIKey of 4-amino-3-(3-methoxyanilino)-N-methylbenzenesulfonamide?
The InChIKey is XFSLGILCVDOXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-16-21(18,19)12-6-7-13(15)14(9-12)17-10-4-3-5-11(8-10)20-2/h3-9,16-17H,15H2,1-2H3.
What are the key properties of 4-amino-3-(3-methoxyanilino)-N-methylbenzenesulfonamide?
4-amino-3-(3-methoxyanilino)-N-methylbenzenesulfonamide has a molecular weight of 307.38 g/mol, XLogP of 1.93, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(3-methoxyanilino)-N-methylbenzenesulfonamide is sourced from PubChem (CID 82899659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).