2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide

C12H12ClN3O3S — CID 742822

IUPAC2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
SMILESCOc1cc(C)nc(NS(=O)(=O)c2ccccc2Cl)n1
InChIInChI=1S/C12H12ClN3O3S/c1-8-7-11(19-2)15-12(14-8)16-20(17,18)10-6-4-3-5-9(10)13/h3-7H,1-2H3,(H,14,15,16)
InChIKeyCXFFWPVMHWZQIZ-UHFFFAOYSA-N
MW313.77 g/mol
LogP2.25
Rot. Bonds4

About 2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide

2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide (PubChem CID 742822) has the molecular formula C12H12ClN3O3S and a molecular weight of 313.77 g/mol. Its IUPAC name is 2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
PubChem CID742822
Molecular FormulaC12H12ClN3O3S
Molecular Weight313.77 g/mol
Exact Mass313.03
IUPAC Name2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
SMILESCOc1cc(C)nc(NS(=O)(=O)c2ccccc2Cl)n1
InChIInChI=1S/C12H12ClN3O3S/c1-8-7-11(19-2)15-12(14-8)16-20(17,18)10-6-4-3-5-9(10)13/h3-7H,1-2H3,(H,14,15,16)
InChIKeyCXFFWPVMHWZQIZ-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

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Related Compounds

N-Allyl-N-(4-methoxy-6-methyl-pyrimidin-2-yl)-benzenesulfonamide
CID 742828
N-(4-methoxy-6-methylpyrimidin-2-yl)-N-propylbenzenesulfonamide
CID 3245110
1-(2-Chlorophenyl)sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea
CID 1973958
N-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide
CID 658027
2-[(5-Chloro-4-methoxy-6-methyl-2-pyrimidinyl)(phenylsulfonyl)amino]acetamide
CID 4121354
N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide
CID 649460
2-chloro-N-(4-methoxy-6-methyl-2-pyrimidinyl)-N-methylbenzenesulfonamide
CID 658041
N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 778472
N-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)-N,4-dimethylbenzenesulfonamide
CID 658146
N-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 767951
N-(4-Chloro-6-methoxy-pyrimidin-2-yl)-4-fluoro-benzenesulfonamide
CID 44301205
2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)-N-propylbenzenesulfonamide
CID 1163043

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide (CID 742822) is 2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide is COc1cc(C)nc(NS(=O)(=O)c2ccccc2Cl)n1.
What is the InChIKey of 2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide?
The InChIKey is CXFFWPVMHWZQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O3S/c1-8-7-11(19-2)15-12(14-8)16-20(17,18)10-6-4-3-5-9(10)13/h3-7H,1-2H3,(H,14,15,16).
What are the key properties of 2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide?
2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide 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 2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 742822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).