2-chloro-5-methylsulfonyl-N-(2-phenylethyl)benzenesulfonamide

C15H16ClNO4S2 — CID 134043562

IUPAC2-chloro-5-methylsulfonyl-N-(2-phenylethyl)benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NCCc2ccccc2)c1
InChIInChI=1S/C15H16ClNO4S2/c1-22(18,19)13-7-8-14(16)15(11-13)23(20,21)17-10-9-12-5-3-2-4-6-12/h2-8,11,17H,9-10H2,1H3
InChIKeyCUSBXFRMJXJPND-UHFFFAOYSA-N
MW373.88 g/mol
LogP2.26
Rot. Bonds6

About 2-chloro-5-methylsulfonyl-N-(2-phenylethyl)benzenesulfonamide

2-chloro-5-methylsulfonyl-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 134043562) has the molecular formula C15H16ClNO4S2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 2-chloro-5-methylsulfonyl-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-methylsulfonyl-N-(2-phenylethyl)benzenesulfonamide
PubChem CID134043562
Molecular FormulaC15H16ClNO4S2
Molecular Weight373.88 g/mol
Exact Mass373.02
IUPAC Name2-chloro-5-methylsulfonyl-N-(2-phenylethyl)benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NCCc2ccccc2)c1
InChIInChI=1S/C15H16ClNO4S2/c1-22(18,19)13-7-8-14(16)15(11-13)23(20,21)17-10-9-12-5-3-2-4-6-12/h2-8,11,17H,9-10H2,1H3
InChIKeyCUSBXFRMJXJPND-UHFFFAOYSA-N
XLogP2.26
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[2-(methylamino)ethyl]-5-methylsulfonylbenzenesulfonamide
CID 62656822
3-chloro-4-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 3482248
N-(3-aminobutyl)-2-chloro-5-methylsulfonylbenzenesulfonamide
CID 63251758
2-chloro-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylsulfonylbenzenesulfonamide
CID 55598328
4-chloro-2,5-dimethyl-N-(2-phenylethyl)benzenesulfonamide
CID 3790089
2-chloro-4-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 3861915
acetonitrile;4-chloro-N-(2-phenylethyl)benzenesulfonamide;hydrate
CID 174293454
2,4,5-trichloro-N-(3-phenylpropyl)benzenesulfonamide
CID 19680947
4-methylsulfonyl-N-(2-phenylethyl)aniline
CID 4654221
N-benzyl-2-chloro-5-(4-chlorophenyl)sulfonylbenzenesulfonamide
CID 1355651
N-(2-aminobutyl)-2-chloro-5-methylsulfonylbenzenesulfonamide
CID 63730770
4-methylsulfanyl-N-(2-phenylethyl)benzenesulfonamide
CID 961989

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methylsulfonyl-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-methylsulfonyl-N-(2-phenylethyl)benzenesulfonamide (CID 134043562) is 2-chloro-5-methylsulfonyl-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-methylsulfonyl-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-methylsulfonyl-N-(2-phenylethyl)benzenesulfonamide is CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NCCc2ccccc2)c1.
What is the InChIKey of 2-chloro-5-methylsulfonyl-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is CUSBXFRMJXJPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO4S2/c1-22(18,19)13-7-8-14(16)15(11-13)23(20,21)17-10-9-12-5-3-2-4-6-12/h2-8,11,17H,9-10H2,1H3.
What are the key properties of 2-chloro-5-methylsulfonyl-N-(2-phenylethyl)benzenesulfonamide?
2-chloro-5-methylsulfonyl-N-(2-phenylethyl)benzenesulfonamide has a molecular weight of 373.88 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methylsulfonyl-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 134043562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).