4-amino-N-[3-(dimethylamino)-4-methylphenyl]thiophene-2-sulfonamide

C13H17N3O2S2 — CID 115375941

IUPAC4-amino-N-[3-(dimethylamino)-4-methylphenyl]thiophene-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(N)cs2)cc1N(C)C
InChIInChI=1S/C13H17N3O2S2/c1-9-4-5-11(7-12(9)16(2)3)15-20(17,18)13-6-10(14)8-19-13/h4-8,15H,14H2,1-3H3
InChIKeyWKQFBUXGNMFMSN-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.51
Rot. Bonds4

About 4-amino-N-[3-(dimethylamino)-4-methylphenyl]thiophene-2-sulfonamide

4-amino-N-[3-(dimethylamino)-4-methylphenyl]thiophene-2-sulfonamide (PubChem CID 115375941) has the molecular formula C13H17N3O2S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-amino-N-[3-(dimethylamino)-4-methylphenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-amino-N-[3-(dimethylamino)-4-methylphenyl]thiophene-2-sulfonamide
PubChem CID115375941
Molecular FormulaC13H17N3O2S2
Molecular Weight311.43 g/mol
Exact Mass311.08
IUPAC Name4-amino-N-[3-(dimethylamino)-4-methylphenyl]thiophene-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(N)cs2)cc1N(C)C
InChIInChI=1S/C13H17N3O2S2/c1-9-4-5-11(7-12(9)16(2)3)15-20(17,18)13-6-10(14)8-19-13/h4-8,15H,14H2,1-3H3
InChIKeyWKQFBUXGNMFMSN-UHFFFAOYSA-N
XLogP2.51
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]thiophene-2-sulfonamide
CID 106073992
2-(dimethylamino)-1-methyl-4-(sulfamoylamino)benzene
CID 112573869
4-amino-N-(4-chlorophenyl)thiophene-2-sulfonamide
CID 61301108
N-[3-(dimethylamino)-4-methylphenyl]-4-methylbenzenesulfonamide
CID 169371894
4-amino-N-(4-chloro-3-fluorophenyl)thiophene-2-sulfonamide
CID 54955525
4-amino-N-(3,4-dicyanophenyl)thiophene-2-sulfonamide
CID 107786924
N-[3-(dimethylamino)-4-methylphenyl]-4-hydroxybenzenesulfonamide
CID 115378355
5-amino-N-[3-(dimethylamino)-4-methylphenyl]-3-methylimidazole-4-sulfonamide
CID 115375981
4-amino-N-(3,5-dimethoxyphenyl)thiophene-2-sulfonamide
CID 61299375
2-bromo-N-[3-(dimethylamino)-4-methylphenyl]benzenesulfonamide
CID 115379035
methyl 5-[(4-aminothiophen-2-yl)sulfonylamino]-2-fluorobenzoate
CID 61300948
1-chloro-N-[3-(dimethylamino)-4-methylphenyl]methanesulfonamide
CID 115379001

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(dimethylamino)-4-methylphenyl]thiophene-2-sulfonamide?
The IUPAC name of 4-amino-N-[3-(dimethylamino)-4-methylphenyl]thiophene-2-sulfonamide (CID 115375941) is 4-amino-N-[3-(dimethylamino)-4-methylphenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-amino-N-[3-(dimethylamino)-4-methylphenyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-amino-N-[3-(dimethylamino)-4-methylphenyl]thiophene-2-sulfonamide is Cc1ccc(NS(=O)(=O)c2cc(N)cs2)cc1N(C)C.
What is the InChIKey of 4-amino-N-[3-(dimethylamino)-4-methylphenyl]thiophene-2-sulfonamide?
The InChIKey is WKQFBUXGNMFMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S2/c1-9-4-5-11(7-12(9)16(2)3)15-20(17,18)13-6-10(14)8-19-13/h4-8,15H,14H2,1-3H3.
What are the key properties of 4-amino-N-[3-(dimethylamino)-4-methylphenyl]thiophene-2-sulfonamide?
4-amino-N-[3-(dimethylamino)-4-methylphenyl]thiophene-2-sulfonamide has a molecular weight of 311.43 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(dimethylamino)-4-methylphenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 115375941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).