3-chloro-N-(2-methoxypyrimidin-5-yl)-4-methylbenzenesulfonamide

C12H12ClN3O3S — CID 122301724

IUPAC3-chloro-N-(2-methoxypyrimidin-5-yl)-4-methylbenzenesulfonamide
SMILESCOc1ncc(NS(=O)(=O)c2ccc(C)c(Cl)c2)cn1
InChIInChI=1S/C12H12ClN3O3S/c1-8-3-4-10(5-11(8)13)20(17,18)16-9-6-14-12(19-2)15-7-9/h3-7,16H,1-2H3
InChIKeyMMJDRSLZPWQOHP-UHFFFAOYSA-N
MW313.77 g/mol
LogP2.25
Rot. Bonds4

About 3-chloro-N-(2-methoxypyrimidin-5-yl)-4-methylbenzenesulfonamide

3-chloro-N-(2-methoxypyrimidin-5-yl)-4-methylbenzenesulfonamide (PubChem CID 122301724) has the molecular formula C12H12ClN3O3S and a molecular weight of 313.77 g/mol. Its IUPAC name is 3-chloro-N-(2-methoxypyrimidin-5-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2-methoxypyrimidin-5-yl)-4-methylbenzenesulfonamide
PubChem CID122301724
Molecular FormulaC12H12ClN3O3S
Molecular Weight313.77 g/mol
Exact Mass313.03
IUPAC Name3-chloro-N-(2-methoxypyrimidin-5-yl)-4-methylbenzenesulfonamide
SMILESCOc1ncc(NS(=O)(=O)c2ccc(C)c(Cl)c2)cn1
InChIInChI=1S/C12H12ClN3O3S/c1-8-3-4-10(5-11(8)13)20(17,18)16-9-6-14-12(19-2)15-7-9/h3-7,16H,1-2H3
InChIKeyMMJDRSLZPWQOHP-UHFFFAOYSA-N
XLogP2.25
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.77
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-chloro-N-(2-methoxypyrimidin-5-yl)-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-(2-methoxypyrimidin-5-yl)-2-methylbenzenesulfonamide
CID 122301667
3-chloro-N-(3,5-difluorophenyl)-4-methylbenzenesulfonamide
CID 47309744
3-chloro-4-methoxy-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 71790196
3-chloro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-4-methoxybenzenesulfonamide
CID 71799831
N-(2-methoxypyrimidin-5-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 91968408
N-(2-methoxypyrimidin-5-yl)-2,4-dimethylbenzenesulfonamide
CID 91968392
3-chloro-4-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 122298771
4-chloro-N-(3-chloro-4-methylphenyl)-3-methylbenzenesulfonamide
CID 16644802
6-amino-N-(3-chloro-4-methylphenyl)pyridine-3-sulfonamide
CID 62164219
N-(2-methoxypyrimidin-5-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 71799812
4-methoxy-3-methyl-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide
CID 122302290
3,4-dichloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 7745694

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-methoxypyrimidin-5-yl)-4-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-(2-methoxypyrimidin-5-yl)-4-methylbenzenesulfonamide (CID 122301724) is 3-chloro-N-(2-methoxypyrimidin-5-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(2-methoxypyrimidin-5-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(2-methoxypyrimidin-5-yl)-4-methylbenzenesulfonamide is COc1ncc(NS(=O)(=O)c2ccc(C)c(Cl)c2)cn1.
What is the InChIKey of 3-chloro-N-(2-methoxypyrimidin-5-yl)-4-methylbenzenesulfonamide?
The InChIKey is MMJDRSLZPWQOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O3S/c1-8-3-4-10(5-11(8)13)20(17,18)16-9-6-14-12(19-2)15-7-9/h3-7,16H,1-2H3.
What are the key properties of 3-chloro-N-(2-methoxypyrimidin-5-yl)-4-methylbenzenesulfonamide?
3-chloro-N-(2-methoxypyrimidin-5-yl)-4-methylbenzenesulfonamide has a molecular weight of 313.77 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-methoxypyrimidin-5-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 122301724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).