4-chloro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide

C11H10ClN3O2S — CID 6465342

IUPAC4-chloro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C11H10ClN3O2S/c1-8-6-7-13-11(14-8)15-18(16,17)10-4-2-9(12)3-5-10/h2-7H,1H3,(H,13,14,15)
InChIKeyMIRBJPKOOYSJBZ-UHFFFAOYSA-N
MW283.74 g/mol
LogP2.24
Rot. Bonds3

About 4-chloro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide

4-chloro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide (PubChem CID 6465342) has the molecular formula C11H10ClN3O2S and a molecular weight of 283.74 g/mol. Its IUPAC name is 4-chloro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
PubChem CID6465342
Molecular FormulaC11H10ClN3O2S
Molecular Weight283.74 g/mol
Exact Mass283.02
IUPAC Name4-chloro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C11H10ClN3O2S/c1-8-6-7-13-11(14-8)15-18(16,17)10-4-2-9(12)3-5-10/h2-7H,1H3,(H,13,14,15)
InChIKeyMIRBJPKOOYSJBZ-UHFFFAOYSA-N
XLogP2.24
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(4-methylpyrimidin-2-yl)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-sulfonamide
CID 71312514
4-ethyl-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 17377245
4-(ethylsulfonylamino)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 19683635
2-[(4-chlorophenyl)methylsulfonyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 17225176
4-chloro-N-pyrimidin-2-ylbenzenesulfonamide
CID 935725
2,5-dichloro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 2218577
4-(2-methylpropyl)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 778376
4-amino-N-(4-methylpyrimidin-2-yl)benzenesulfonamide;cyclopentanone
CID 139196182
(2S)-2-(4-chloro-N-methylsulfonylanilino)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]butanamide
CID 99942502
5-chloro-1,3-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide
CID 25038245
4-(2-cyanoethylamino)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 39311105
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 46763642

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide (CID 6465342) is 4-chloro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide is Cc1ccnc(NS(=O)(=O)c2ccc(Cl)cc2)n1.
What is the InChIKey of 4-chloro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide?
The InChIKey is MIRBJPKOOYSJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2S/c1-8-6-7-13-11(14-8)15-18(16,17)10-4-2-9(12)3-5-10/h2-7H,1H3,(H,13,14,15).
What are the key properties of 4-chloro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide?
4-chloro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide has a molecular weight of 283.74 g/mol, XLogP of 2.24, 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-methylpyrimidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 6465342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).