4-amino-N-(2,4-dimethylphenyl)-N-methylthiophene-2-sulfonamide

C13H16N2O2S2 — CID 62003332

IUPAC4-amino-N-(2,4-dimethylphenyl)-N-methylthiophene-2-sulfonamide
SMILESCc1ccc(N(C)S(=O)(=O)c2cc(N)cs2)c(C)c1
InChIInChI=1S/C13H16N2O2S2/c1-9-4-5-12(10(2)6-9)15(3)19(16,17)13-7-11(14)8-18-13/h4-8H,14H2,1-3H3
InChIKeyPNVVLOPXCCQHDL-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.77
Rot. Bonds3

About 4-amino-N-(2,4-dimethylphenyl)-N-methylthiophene-2-sulfonamide

4-amino-N-(2,4-dimethylphenyl)-N-methylthiophene-2-sulfonamide (PubChem CID 62003332) has the molecular formula C13H16N2O2S2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 4-amino-N-(2,4-dimethylphenyl)-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name4-amino-N-(2,4-dimethylphenyl)-N-methylthiophene-2-sulfonamide
PubChem CID62003332
Molecular FormulaC13H16N2O2S2
Molecular Weight296.42 g/mol
Exact Mass296.07
IUPAC Name4-amino-N-(2,4-dimethylphenyl)-N-methylthiophene-2-sulfonamide
SMILESCc1ccc(N(C)S(=O)(=O)c2cc(N)cs2)c(C)c1
InChIInChI=1S/C13H16N2O2S2/c1-9-4-5-12(10(2)6-9)15(3)19(16,17)13-7-11(14)8-18-13/h4-8H,14H2,1-3H3
InChIKeyPNVVLOPXCCQHDL-UHFFFAOYSA-N
XLogP2.77
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2,4-dimethylphenyl)-N,2-dimethylbenzenesulfonamide
CID 62002580
3-amino-N-(2,4-dimethylphenyl)-N,1,5-trimethylpyrazole-4-sulfonamide
CID 105358817
(2,4-dimethylphenyl)-methylsulfamic acid
CID 19750978
4-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide
CID 61300193
2-amino-N-(2,4-dimethylphenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 62002014
3-amino-N-(2,4-dimethylphenyl)-1-ethyl-N-methylpyrazole-4-sulfonamide
CID 62002771
4-amino-N-methyl-N-(2-methylsulfonylethyl)thiophene-2-sulfonamide
CID 79850156
4-amino-N-[3-(dimethylamino)-4-methylphenyl]thiophene-2-sulfonamide
CID 115375941
5-methylsulfonylthiophen-3-amine
CID 83482061
4-amino-N-[(4-ethylphenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 61299784
4-amino-N-cyclohexyl-N-methylthiophene-2-sulfonamide
CID 61300333
1-N-(2,4-dimethylphenyl)-1-N,2-dimethylbenzene-1,4-diamine
CID 62003179

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,4-dimethylphenyl)-N-methylthiophene-2-sulfonamide?
The IUPAC name of 4-amino-N-(2,4-dimethylphenyl)-N-methylthiophene-2-sulfonamide (CID 62003332) is 4-amino-N-(2,4-dimethylphenyl)-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for 4-amino-N-(2,4-dimethylphenyl)-N-methylthiophene-2-sulfonamide?
The canonical SMILES for 4-amino-N-(2,4-dimethylphenyl)-N-methylthiophene-2-sulfonamide is Cc1ccc(N(C)S(=O)(=O)c2cc(N)cs2)c(C)c1.
What is the InChIKey of 4-amino-N-(2,4-dimethylphenyl)-N-methylthiophene-2-sulfonamide?
The InChIKey is PNVVLOPXCCQHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S2/c1-9-4-5-12(10(2)6-9)15(3)19(16,17)13-7-11(14)8-18-13/h4-8H,14H2,1-3H3.
What are the key properties of 4-amino-N-(2,4-dimethylphenyl)-N-methylthiophene-2-sulfonamide?
4-amino-N-(2,4-dimethylphenyl)-N-methylthiophene-2-sulfonamide has a molecular weight of 296.42 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,4-dimethylphenyl)-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 62003332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).