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

C13H14ClN3O3S — CID 658041

IUPAC2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)-N-methylbenzenesulfonamide
SMILESCOc1cc(C)nc(N(C)S(=O)(=O)c2ccccc2Cl)n1
InChIInChI=1S/C13H14ClN3O3S/c1-9-8-12(20-3)16-13(15-9)17(2)21(18,19)11-7-5-4-6-10(11)14/h4-8H,1-3H3
InChIKeyFFRSNGLXNNZINH-UHFFFAOYSA-N
MW327.79 g/mol
LogP2.27
Rot. Bonds4

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

2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)-N-methylbenzenesulfonamide (PubChem CID 658041) has the molecular formula C13H14ClN3O3S and a molecular weight of 327.79 g/mol. Its IUPAC name is 2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)-N-methylbenzenesulfonamide
PubChem CID658041
Molecular FormulaC13H14ClN3O3S
Molecular Weight327.79 g/mol
Exact Mass327.04
IUPAC Name2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)-N-methylbenzenesulfonamide
SMILESCOc1cc(C)nc(N(C)S(=O)(=O)c2ccccc2Cl)n1
InChIInChI=1S/C13H14ClN3O3S/c1-9-8-12(20-3)16-13(15-9)17(2)21(18,19)11-7-5-4-6-10(11)14/h4-8H,1-3H3
InChIKeyFFRSNGLXNNZINH-UHFFFAOYSA-N
XLogP2.27
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.79
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-Allyl-N-(4-methoxy-6-methyl-pyrimidin-2-yl)-benzenesulfonamide
CID 742828
N-benzyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 1212198
N-(4-methoxy-6-methylpyrimidin-2-yl)-N-propylbenzenesulfonamide
CID 3245110
2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 742822
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
N-Allyl-N-(4-methoxy-6-methyl-pyrimidin-2-yl)-4-methyl-benzenesulfonamide
CID 767952
N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 778472
methyl 2-(N-(4-methoxy-6-methylpyrimidin-2-yl)phenylsulfonamido)acetate
CID 657955
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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)-N-methylbenzenesulfonamide?
The IUPAC name of 2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)-N-methylbenzenesulfonamide (CID 658041) is 2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)-N-methylbenzenesulfonamide is COc1cc(C)nc(N(C)S(=O)(=O)c2ccccc2Cl)n1.
What is the InChIKey of 2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)-N-methylbenzenesulfonamide?
The InChIKey is FFRSNGLXNNZINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O3S/c1-9-8-12(20-3)16-13(15-9)17(2)21(18,19)11-7-5-4-6-10(11)14/h4-8H,1-3H3.
What are the key properties of 2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)-N-methylbenzenesulfonamide?
2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)-N-methylbenzenesulfonamide has a molecular weight of 327.79 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 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)-N-methylbenzenesulfonamide is sourced from PubChem (CID 658041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).