3-(benzenesulfonamido)thiophene-2-carboxylic acid;4,6-dimethylpyridin-2-amine

C18H19N3O4S2 — CID 70122298

IUPAC3-(benzenesulfonamido)thiophene-2-carboxylic acid;4,6-dimethylpyridin-2-amine
SMILESCc1cc(C)nc(N)c1.O=C(O)c1sccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H9NO4S2.C7H10N2/c13-11(14)10-9(6-7-17-10)12-18(15,16)8-4-2-1-3-5-8;1-5-3-6(2)9-7(8)4-5/h1-7,12H,(H,13,14);3-4H,1-2H3,(H2,8,9)
InChIKeyNPMSBPXPBFVXCD-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.53
Rot. Bonds4

About 3-(benzenesulfonamido)thiophene-2-carboxylic acid;4,6-dimethylpyridin-2-amine

3-(benzenesulfonamido)thiophene-2-carboxylic acid;4,6-dimethylpyridin-2-amine (PubChem CID 70122298) has the molecular formula C18H19N3O4S2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 3-(benzenesulfonamido)thiophene-2-carboxylic acid;4,6-dimethylpyridin-2-amine.

Molecular Properties

Compound Name3-(benzenesulfonamido)thiophene-2-carboxylic acid;4,6-dimethylpyridin-2-amine
PubChem CID70122298
Molecular FormulaC18H19N3O4S2
Molecular Weight405.50 g/mol
Exact Mass405.08
IUPAC Name3-(benzenesulfonamido)thiophene-2-carboxylic acid;4,6-dimethylpyridin-2-amine
SMILESCc1cc(C)nc(N)c1.O=C(O)c1sccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H9NO4S2.C7H10N2/c13-11(14)10-9(6-7-17-10)12-18(15,16)8-4-2-1-3-5-8;1-5-3-6(2)9-7(8)4-5/h1-7,12H,(H,13,14);3-4H,1-2H3,(H2,8,9)
InChIKeyNPMSBPXPBFVXCD-UHFFFAOYSA-N
XLogP3.53
TPSA122.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 16771674
3-(pyridin-3-ylsulfonylamino)thiophene-2-carboxylic acid
CID 43443006
methyl 2-[[3-(benzenesulfonamido)thiophene-2-carbonyl]amino]acetate
CID 19427368
methyl 3-[(3,5-dimethylphenyl)sulfonylamino]thiophene-2-carboxylate
CID 60675264
3-(benzenesulfonamido)-N-(4-methoxyphenyl)thiophene-2-carboxamide
CID 10178357
3-[(4-cyanophenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 43442992
3-[(1-methylpyrazol-4-yl)sulfonylamino]thiophene-2-carboxylic acid
CID 43443076
3-(benzenesulfonamido)-N-(4-propan-2-yloxyphenyl)thiophene-2-carboxamide
CID 10136677
3-(benzenesulfonamido)-N-(3-phenylphenyl)thiophene-2-carboxamide
CID 70122578
2-(benzenesulfonamido)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20983476
bromomethane;3-[(2,3-dimethylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 90762756
3-[(5-bromo-2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 43443081

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)thiophene-2-carboxylic acid;4,6-dimethylpyridin-2-amine?
The IUPAC name of 3-(benzenesulfonamido)thiophene-2-carboxylic acid;4,6-dimethylpyridin-2-amine (CID 70122298) is 3-(benzenesulfonamido)thiophene-2-carboxylic acid;4,6-dimethylpyridin-2-amine.
What is the SMILES notation for 3-(benzenesulfonamido)thiophene-2-carboxylic acid;4,6-dimethylpyridin-2-amine?
The canonical SMILES for 3-(benzenesulfonamido)thiophene-2-carboxylic acid;4,6-dimethylpyridin-2-amine is Cc1cc(C)nc(N)c1.O=C(O)c1sccc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonamido)thiophene-2-carboxylic acid;4,6-dimethylpyridin-2-amine?
The InChIKey is NPMSBPXPBFVXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4S2.C7H10N2/c13-11(14)10-9(6-7-17-10)12-18(15,16)8-4-2-1-3-5-8;1-5-3-6(2)9-7(8)4-5/h1-7,12H,(H,13,14);3-4H,1-2H3,(H2,8,9).
What are the key properties of 3-(benzenesulfonamido)thiophene-2-carboxylic acid;4,6-dimethylpyridin-2-amine?
3-(benzenesulfonamido)thiophene-2-carboxylic acid;4,6-dimethylpyridin-2-amine has a molecular weight of 405.50 g/mol, XLogP of 3.53, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)thiophene-2-carboxylic acid;4,6-dimethylpyridin-2-amine is sourced from PubChem (CID 70122298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).