2-chloro-4-cyano-N-(6-ethyl-2-methylpyrimidin-4-yl)benzenesulfonamide

C14H13ClN4O2S — CID 75522858

IUPAC2-chloro-4-cyano-N-(6-ethyl-2-methylpyrimidin-4-yl)benzenesulfonamide
SMILESCCc1cc(NS(=O)(=O)c2ccc(C#N)cc2Cl)nc(C)n1
InChIInChI=1S/C14H13ClN4O2S/c1-3-11-7-14(18-9(2)17-11)19-22(20,21)13-5-4-10(8-16)6-12(13)15/h4-7H,3H2,1-2H3,(H,17,18,19)
InChIKeyZKSZOJXEXMNDOQ-UHFFFAOYSA-N
MW336.80 g/mol
LogP2.67
Rot. Bonds4

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

2-chloro-4-cyano-N-(6-ethyl-2-methylpyrimidin-4-yl)benzenesulfonamide (PubChem CID 75522858) has the molecular formula C14H13ClN4O2S and a molecular weight of 336.80 g/mol. Its IUPAC name is 2-chloro-4-cyano-N-(6-ethyl-2-methylpyrimidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-cyano-N-(6-ethyl-2-methylpyrimidin-4-yl)benzenesulfonamide
PubChem CID75522858
Molecular FormulaC14H13ClN4O2S
Molecular Weight336.80 g/mol
Exact Mass336.04
IUPAC Name2-chloro-4-cyano-N-(6-ethyl-2-methylpyrimidin-4-yl)benzenesulfonamide
SMILESCCc1cc(NS(=O)(=O)c2ccc(C#N)cc2Cl)nc(C)n1
InChIInChI=1S/C14H13ClN4O2S/c1-3-11-7-14(18-9(2)17-11)19-22(20,21)13-5-4-10(8-16)6-12(13)15/h4-7H,3H2,1-2H3,(H,17,18,19)
InChIKeyZKSZOJXEXMNDOQ-UHFFFAOYSA-N
XLogP2.67
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.80
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-cyano-N-(2-ethylphenyl)benzenesulfonamide
CID 103988511
2-chloro-4-cyano-N-(3,4-dimethylphenyl)benzenesulfonamide
CID 103988464
2-chloro-4-cyano-N-(2-methylphenyl)benzenesulfonamide
CID 103988459
2-chloro-4-cyano-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 103989875
2-chloro-N-(3-chloro-2-methyl-4-pyridinyl)-4-cyanobenzenesulfonamide
CID 75523599
2-chloro-4-cyano-N-(1-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 103990107
2-chloro-4-cyano-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 103988860
2-chloro-4-cyano-N-(1-hydroxypentan-3-yl)benzenesulfonamide
CID 103989511
2-chloro-4-cyano-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 103988889
N-but-3-yn-2-yl-2-chloro-4-cyanobenzenesulfonamide
CID 114419165
2-chloro-4-cyano-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 103988819
2-chloro-4-cyano-N-(2,2-dimethylpropyl)benzenesulfonamide
CID 103989185

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-cyano-N-(6-ethyl-2-methylpyrimidin-4-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-4-cyano-N-(6-ethyl-2-methylpyrimidin-4-yl)benzenesulfonamide (CID 75522858) is 2-chloro-4-cyano-N-(6-ethyl-2-methylpyrimidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-cyano-N-(6-ethyl-2-methylpyrimidin-4-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-4-cyano-N-(6-ethyl-2-methylpyrimidin-4-yl)benzenesulfonamide is CCc1cc(NS(=O)(=O)c2ccc(C#N)cc2Cl)nc(C)n1.
What is the InChIKey of 2-chloro-4-cyano-N-(6-ethyl-2-methylpyrimidin-4-yl)benzenesulfonamide?
The InChIKey is ZKSZOJXEXMNDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O2S/c1-3-11-7-14(18-9(2)17-11)19-22(20,21)13-5-4-10(8-16)6-12(13)15/h4-7H,3H2,1-2H3,(H,17,18,19).
What are the key properties of 2-chloro-4-cyano-N-(6-ethyl-2-methylpyrimidin-4-yl)benzenesulfonamide?
2-chloro-4-cyano-N-(6-ethyl-2-methylpyrimidin-4-yl)benzenesulfonamide has a molecular weight of 336.80 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-cyano-N-(6-ethyl-2-methylpyrimidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 75522858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).