4-chloro-2,5-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide

C15H17ClN2O2S — CID 3747457

IUPAC4-chloro-2,5-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCc2ccncc2)c(C)cc1Cl
InChIInChI=1S/C15H17ClN2O2S/c1-11-10-15(12(2)9-14(11)16)21(19,20)18-8-5-13-3-6-17-7-4-13/h3-4,6-7,9-10,18H,5,8H2,1-2H3
InChIKeyZPFPGQACECNRPZ-UHFFFAOYSA-N
MW324.83 g/mol
LogP2.87
Rot. Bonds5

About 4-chloro-2,5-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide

4-chloro-2,5-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide (PubChem CID 3747457) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 4-chloro-2,5-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2,5-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
PubChem CID3747457
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name4-chloro-2,5-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCc2ccncc2)c(C)cc1Cl
InChIInChI=1S/C15H17ClN2O2S/c1-11-10-15(12(2)9-14(11)16)21(19,20)18-8-5-13-3-6-17-7-4-13/h3-4,6-7,9-10,18H,5,8H2,1-2H3
InChIKeyZPFPGQACECNRPZ-UHFFFAOYSA-N
XLogP2.87
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2,5-dimethyl-N-(2-phenylethyl)benzenesulfonamide
CID 3790089
4-chloro-N-[2-(3-chlorophenyl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 19680922
5-amino-2-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 60914924
4-chloro-2,5-dimethyl-N-[3-(5-methylpyrazol-1-yl)propyl]benzenesulfonamide
CID 22207405
4-fluoro-2,6-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 107326770
2-bromo-5-chloro-4-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 104723469
4-chloro-N-hexyl-2,5-dimethylbenzenesulfonamide
CID 19681262
2,4-dichloro-N-[2-(furan-3-yl)ethyl]-5-methylbenzenesulfonamide
CID 90558451
2-(ethylamino)-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 62147752
5-chloro-6-oxo-N-(2-pyridin-4-ylethyl)-1H-pyridine-3-sulfonamide
CID 64608644
3-chloro-4-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 3482248
6-chloro-N-(2-pyridin-4-ylethyl)pyridine-3-sulfonamide
CID 54944076

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-2,5-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide (CID 3747457) is 4-chloro-2,5-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-2,5-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-2,5-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide is Cc1cc(S(=O)(=O)NCCc2ccncc2)c(C)cc1Cl.
What is the InChIKey of 4-chloro-2,5-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The InChIKey is ZPFPGQACECNRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-11-10-15(12(2)9-14(11)16)21(19,20)18-8-5-13-3-6-17-7-4-13/h3-4,6-7,9-10,18H,5,8H2,1-2H3.
What are the key properties of 4-chloro-2,5-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
4-chloro-2,5-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide has a molecular weight of 324.83 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,5-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 3747457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).