4-amino-N-(4-methyl-6-thiophen-3-ylpyrimidin-2-yl)benzenesulfonamide

C15H14N4O2S2 — CID 51063034

IUPAC4-amino-N-(4-methyl-6-thiophen-3-ylpyrimidin-2-yl)benzenesulfonamide
SMILESCc1cc(-c2ccsc2)nc(NS(=O)(=O)c2ccc(N)cc2)n1
InChIInChI=1S/C15H14N4O2S2/c1-10-8-14(11-6-7-22-9-11)18-15(17-10)19-23(20,21)13-4-2-12(16)3-5-13/h2-9H,16H2,1H3,(H,17,18,19)
InChIKeyXKJWNTUDCYSNQZ-UHFFFAOYSA-N
MW346.44 g/mol
LogP2.90
Rot. Bonds4

About 4-amino-N-(4-methyl-6-thiophen-3-ylpyrimidin-2-yl)benzenesulfonamide

4-amino-N-(4-methyl-6-thiophen-3-ylpyrimidin-2-yl)benzenesulfonamide (PubChem CID 51063034) has the molecular formula C15H14N4O2S2 and a molecular weight of 346.44 g/mol. Its IUPAC name is 4-amino-N-(4-methyl-6-thiophen-3-ylpyrimidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(4-methyl-6-thiophen-3-ylpyrimidin-2-yl)benzenesulfonamide
PubChem CID51063034
Molecular FormulaC15H14N4O2S2
Molecular Weight346.44 g/mol
Exact Mass346.06
IUPAC Name4-amino-N-(4-methyl-6-thiophen-3-ylpyrimidin-2-yl)benzenesulfonamide
SMILESCc1cc(-c2ccsc2)nc(NS(=O)(=O)c2ccc(N)cc2)n1
InChIInChI=1S/C15H14N4O2S2/c1-10-8-14(11-6-7-22-9-11)18-15(17-10)19-23(20,21)13-4-2-12(16)3-5-13/h2-9H,16H2,1H3,(H,17,18,19)
InChIKeyXKJWNTUDCYSNQZ-UHFFFAOYSA-N
XLogP2.90
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide;sulfuric acid
CID 21393658
4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide;4-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 174831503
4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide;(Z)-4-amino-4-oxobut-2-enoic acid
CID 69385470
4-amino-N-(4-methylpyrimidin-2-yl)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-sulfonamide
CID 71312514
4-amino-N-thiophen-3-ylbenzenesulfonamide
CID 66351658
Benzenesulfonamide, 4-amino-N-(2,6-dimethyl-4-pyrimidinyl)-, sodium salt (1:1)
CID 66643389
N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzenesulfonamide
CID 717519
4-amino-N-(4-methylpyrimidin-2-yl)benzenesulfonamide;cyclopentanone
CID 139196182
4-methyl-N-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)benzenesulfonamide
CID 3513839
4-[(2,6-diamino-4-oxo-1,3-thiazin-5-yl)diazenyl]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 136677867
4-(cyanomethyl)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 79186466
bis(4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide);bis(1-hydroxynaphthalene-2-carboxylic acid)
CID 139144524

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-methyl-6-thiophen-3-ylpyrimidin-2-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(4-methyl-6-thiophen-3-ylpyrimidin-2-yl)benzenesulfonamide (CID 51063034) is 4-amino-N-(4-methyl-6-thiophen-3-ylpyrimidin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(4-methyl-6-thiophen-3-ylpyrimidin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(4-methyl-6-thiophen-3-ylpyrimidin-2-yl)benzenesulfonamide is Cc1cc(-c2ccsc2)nc(NS(=O)(=O)c2ccc(N)cc2)n1.
What is the InChIKey of 4-amino-N-(4-methyl-6-thiophen-3-ylpyrimidin-2-yl)benzenesulfonamide?
The InChIKey is XKJWNTUDCYSNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S2/c1-10-8-14(11-6-7-22-9-11)18-15(17-10)19-23(20,21)13-4-2-12(16)3-5-13/h2-9H,16H2,1H3,(H,17,18,19).
What are the key properties of 4-amino-N-(4-methyl-6-thiophen-3-ylpyrimidin-2-yl)benzenesulfonamide?
4-amino-N-(4-methyl-6-thiophen-3-ylpyrimidin-2-yl)benzenesulfonamide has a molecular weight of 346.44 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-methyl-6-thiophen-3-ylpyrimidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 51063034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).