N-[2-(4-cyclopentylsulfonylphenyl)ethyl]ethanesulfonamide

C15H23NO4S2 — CID 110790741

IUPACN-[2-(4-cyclopentylsulfonylphenyl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCc1ccc(S(=O)(=O)C2CCCC2)cc1
InChIInChI=1S/C15H23NO4S2/c1-2-21(17,18)16-12-11-13-7-9-15(10-8-13)22(19,20)14-5-3-4-6-14/h7-10,14,16H,2-6,11-12H2,1H3
InChIKeyVWBRPFJQTOLXHJ-UHFFFAOYSA-N
MW345.49 g/mol
LogP1.88
Rot. Bonds7

About N-[2-(4-cyclopentylsulfonylphenyl)ethyl]ethanesulfonamide

N-[2-(4-cyclopentylsulfonylphenyl)ethyl]ethanesulfonamide (PubChem CID 110790741) has the molecular formula C15H23NO4S2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[2-(4-cyclopentylsulfonylphenyl)ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-cyclopentylsulfonylphenyl)ethyl]ethanesulfonamide
PubChem CID110790741
Molecular FormulaC15H23NO4S2
Molecular Weight345.49 g/mol
Exact Mass345.11
IUPAC NameN-[2-(4-cyclopentylsulfonylphenyl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCc1ccc(S(=O)(=O)C2CCCC2)cc1
InChIInChI=1S/C15H23NO4S2/c1-2-21(17,18)16-12-11-13-7-9-15(10-8-13)22(19,20)14-5-3-4-6-14/h7-10,14,16H,2-6,11-12H2,1H3
InChIKeyVWBRPFJQTOLXHJ-UHFFFAOYSA-N
XLogP1.88
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentylsulfonyl-4-pentylbenzene
CID 173140440
N-[2-(4-cyclopentylsulfonylphenyl)ethyl]-2-methylpropanamide
CID 110790732
methyl N-[2-(4-cyclopentylsulfonylphenyl)ethyl]carbamate
CID 110790737
N-[2-(4-ethylsulfonylphenyl)ethyl]ethanesulfonamide
CID 110790721
N-[2-(4-ethoxyphenyl)ethyl]ethanesulfonamide
CID 110788129
4-[3-(ethylsulfonylamino)propyl]benzenesulfonamide
CID 54931498
1-tert-butyl-3-[(4-cyclopentylsulfonylphenyl)methyl]urea
CID 110775358
N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]methanesulfonamide
CID 110291803
N-[2-(4-methoxyphenyl)ethylsulfamoyl]cyclohexanamine
CID 110675836
4-[2-(benzylsulfonylamino)ethyl]-N-ethylbenzenesulfonamide
CID 112507244
N-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]ethanesulfonamide
CID 110791310
N-[2-(4-tert-butylphenyl)ethyl]cyclopropanesulfonamide
CID 59732240

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclopentylsulfonylphenyl)ethyl]ethanesulfonamide?
The IUPAC name of N-[2-(4-cyclopentylsulfonylphenyl)ethyl]ethanesulfonamide (CID 110790741) is N-[2-(4-cyclopentylsulfonylphenyl)ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-(4-cyclopentylsulfonylphenyl)ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-(4-cyclopentylsulfonylphenyl)ethyl]ethanesulfonamide is CCS(=O)(=O)NCCc1ccc(S(=O)(=O)C2CCCC2)cc1.
What is the InChIKey of N-[2-(4-cyclopentylsulfonylphenyl)ethyl]ethanesulfonamide?
The InChIKey is VWBRPFJQTOLXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S2/c1-2-21(17,18)16-12-11-13-7-9-15(10-8-13)22(19,20)14-5-3-4-6-14/h7-10,14,16H,2-6,11-12H2,1H3.
What are the key properties of N-[2-(4-cyclopentylsulfonylphenyl)ethyl]ethanesulfonamide?
N-[2-(4-cyclopentylsulfonylphenyl)ethyl]ethanesulfonamide has a molecular weight of 345.49 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclopentylsulfonylphenyl)ethyl]ethanesulfonamide is sourced from PubChem (CID 110790741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).