2-chloro-N-(3,5-dimethylphenyl)pyrimidine-5-sulfonamide

C12H12ClN3O2S — CID 43456340

IUPAC2-chloro-N-(3,5-dimethylphenyl)pyrimidine-5-sulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2cnc(Cl)nc2)c1
InChIInChI=1S/C12H12ClN3O2S/c1-8-3-9(2)5-10(4-8)16-19(17,18)11-6-14-12(13)15-7-11/h3-7,16H,1-2H3
InChIKeyVZCHBSBAGRYOHP-UHFFFAOYSA-N
MW297.77 g/mol
LogP2.55
Rot. Bonds3

About 2-chloro-N-(3,5-dimethylphenyl)pyrimidine-5-sulfonamide

2-chloro-N-(3,5-dimethylphenyl)pyrimidine-5-sulfonamide (PubChem CID 43456340) has the molecular formula C12H12ClN3O2S and a molecular weight of 297.77 g/mol. Its IUPAC name is 2-chloro-N-(3,5-dimethylphenyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3,5-dimethylphenyl)pyrimidine-5-sulfonamide
PubChem CID43456340
Molecular FormulaC12H12ClN3O2S
Molecular Weight297.77 g/mol
Exact Mass297.03
IUPAC Name2-chloro-N-(3,5-dimethylphenyl)pyrimidine-5-sulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2cnc(Cl)nc2)c1
InChIInChI=1S/C12H12ClN3O2S/c1-8-3-9(2)5-10(4-8)16-19(17,18)11-6-14-12(13)15-7-11/h3-7,16H,1-2H3
InChIKeyVZCHBSBAGRYOHP-UHFFFAOYSA-N
XLogP2.55
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.77
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(3,5-difluorophenyl)pyrimidine-5-sulfonamide
CID 43456351
6-amino-N-(3,5-dimethylphenyl)pyridine-3-sulfonamide
CID 62145055
N-(4-bromo-2,6-dichlorophenyl)-2-chloropyrimidine-5-sulfonamide
CID 43456516
N-(6-bromo-3-pyridinyl)-2-chloropyrimidine-5-sulfonamide
CID 114051668
N-(5-bromo-2-methylphenyl)-2-chloropyrimidine-5-sulfonamide
CID 43805950
6-cyano-N-(3,5-dimethylphenyl)pyridine-3-sulfonamide
CID 115602138
2-chloro-N-(4-methyl-3-nitrophenyl)pyrimidine-5-sulfonamide
CID 43456451
2-chloro-N-(4-methyl-1,3-thiazol-2-yl)pyrimidine-5-sulfonamide
CID 43456367
2-chloro-N-(2-methyl-3H-benzimidazol-5-yl)pyrimidine-5-sulfonamide
CID 61053137
2-chloro-N-(2-methylpropyl)pyrimidine-5-sulfonamide
CID 43456284
2-chloro-N-(3-chloro-4-ethoxyphenyl)pyrimidine-5-sulfonamide
CID 61040955
N-(3-chloro-5-methylphenyl)-4-methylbenzenesulfonamide
CID 54422593

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,5-dimethylphenyl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-chloro-N-(3,5-dimethylphenyl)pyrimidine-5-sulfonamide (CID 43456340) is 2-chloro-N-(3,5-dimethylphenyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(3,5-dimethylphenyl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(3,5-dimethylphenyl)pyrimidine-5-sulfonamide is Cc1cc(C)cc(NS(=O)(=O)c2cnc(Cl)nc2)c1.
What is the InChIKey of 2-chloro-N-(3,5-dimethylphenyl)pyrimidine-5-sulfonamide?
The InChIKey is VZCHBSBAGRYOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2S/c1-8-3-9(2)5-10(4-8)16-19(17,18)11-6-14-12(13)15-7-11/h3-7,16H,1-2H3.
What are the key properties of 2-chloro-N-(3,5-dimethylphenyl)pyrimidine-5-sulfonamide?
2-chloro-N-(3,5-dimethylphenyl)pyrimidine-5-sulfonamide has a molecular weight of 297.77 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,5-dimethylphenyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 43456340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).