N-(4-chloro-2-pyridinyl)-3-methylbenzenesulfonamide

C12H11ClN2O2S — CID 115679391

IUPACN-(4-chloro-2-pyridinyl)-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2cc(Cl)ccn2)c1
InChIInChI=1S/C12H11ClN2O2S/c1-9-3-2-4-11(7-9)18(16,17)15-12-8-10(13)5-6-14-12/h2-8H,1H3,(H,14,15)
InChIKeyROQOWJMPIRIJDN-UHFFFAOYSA-N
MW282.75 g/mol
LogP2.84
Rot. Bonds3

About N-(4-chloro-2-pyridinyl)-3-methylbenzenesulfonamide

N-(4-chloro-2-pyridinyl)-3-methylbenzenesulfonamide (PubChem CID 115679391) has the molecular formula C12H11ClN2O2S and a molecular weight of 282.75 g/mol. Its IUPAC name is N-(4-chloro-2-pyridinyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyridinyl)-3-methylbenzenesulfonamide
PubChem CID115679391
Molecular FormulaC12H11ClN2O2S
Molecular Weight282.75 g/mol
Exact Mass282.02
IUPAC NameN-(4-chloro-2-pyridinyl)-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2cc(Cl)ccn2)c1
InChIInChI=1S/C12H11ClN2O2S/c1-9-3-2-4-11(7-9)18(16,17)15-12-8-10(13)5-6-14-12/h2-8H,1H3,(H,14,15)
InChIKeyROQOWJMPIRIJDN-UHFFFAOYSA-N
XLogP2.84
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(4-chloro-2-pyridinyl)pyrimidine-5-sulfonamide
CID 114052244
N-(4-chlorophenyl)-3-methylbenzenesulfonamide
CID 805135
4-(chloromethyl)-N-(4-chloro-2-pyridinyl)benzenesulfonamide
CID 114279820
N-(4-chloro-2-pyridinyl)-1-methylpyrazole-4-sulfonamide
CID 71972209
3-[1-(methylamino)ethyl]-N-(4-methyl-2-pyridinyl)benzenesulfonamide
CID 43506999
4-chloro-N-(methylsulfamoyl)pyridin-2-amine
CID 114813660
2-chloro-N-(3-methylphenyl)pyridine-4-sulfonamide
CID 54895572
3-chloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 25043050
4-fluoro-3-methyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide
CID 850130
N-(4-chloro-2-hydroxyphenyl)-3-methylbenzenesulfonamide
CID 81433189
N-(4-chloro-2-pyridinyl)sulfamoyl chloride
CID 84760693
2-(methylamino)-N-(3-methylphenyl)pyridine-4-sulfonamide
CID 55044083

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyridinyl)-3-methylbenzenesulfonamide?
The IUPAC name of N-(4-chloro-2-pyridinyl)-3-methylbenzenesulfonamide (CID 115679391) is N-(4-chloro-2-pyridinyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-chloro-2-pyridinyl)-3-methylbenzenesulfonamide?
The canonical SMILES for N-(4-chloro-2-pyridinyl)-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2cc(Cl)ccn2)c1.
What is the InChIKey of N-(4-chloro-2-pyridinyl)-3-methylbenzenesulfonamide?
The InChIKey is ROQOWJMPIRIJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2S/c1-9-3-2-4-11(7-9)18(16,17)15-12-8-10(13)5-6-14-12/h2-8H,1H3,(H,14,15).
What are the key properties of N-(4-chloro-2-pyridinyl)-3-methylbenzenesulfonamide?
N-(4-chloro-2-pyridinyl)-3-methylbenzenesulfonamide has a molecular weight of 282.75 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-pyridinyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 115679391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).