4-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide

C12H12ClN3O2S — CID 717511

IUPAC4-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C12H12ClN3O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,1-2H3,(H,14,15,16)
InChIKeyJPYWNNRKLRWRBX-UHFFFAOYSA-N
MW297.77 g/mol
LogP2.55
Rot. Bonds3

About 4-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide

4-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide (PubChem CID 717511) has the molecular formula C12H12ClN3O2S and a molecular weight of 297.77 g/mol. Its IUPAC name is 4-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
PubChem CID717511
Molecular FormulaC12H12ClN3O2S
Molecular Weight297.77 g/mol
Exact Mass297.03
IUPAC Name4-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C12H12ClN3O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,1-2H3,(H,14,15,16)
InChIKeyJPYWNNRKLRWRBX-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

Sulfamethazine
CID 5327
Sulfisomidine
CID 5343
Sulfamethazine Sodium
CID 13456556
Sulfaclomide
CID 71168
({4-[(Dimethylamino)diazenyl]phenyl}sulfonyl)(4,6-dimethylpyrimidin-2-yl)amine
CID 799989
4-Chloro-N-pyrimidin-2-yl-benzenesulfonamide
CID 935725
2-[(4-Chlorophenyl)sulfonyl]-3-[(2,6-dimethylpyrimidin-4-yl)amino]acrylonitrile
CID 2819201
Desaminosulfamethazine
CID 188299
4-Chloro-N-(6-methyl-pyridin-2-yl)-benzenesulfonamide
CID 686176
acs.jmedchem.1c00409_ST.259
CID 145961183
N-cyano-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 647569
4-bromo-N-(4,6-dimethyl-2-pyrimidinyl)benzenesulfonamide
CID 717552

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide (CID 717511) is 4-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide is Cc1cc(C)nc(NS(=O)(=O)c2ccc(Cl)cc2)n1.
What is the InChIKey of 4-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide?
The InChIKey is JPYWNNRKLRWRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,1-2H3,(H,14,15,16).
What are the key properties of 4-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide?
4-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide 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 4-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 717511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).