3-chloro-N-[2-(3-cyclohexylsulfonylazetidin-1-yl)-2-oxoethyl]benzenesulfonamide

C17H23ClN2O5S2 — CID 71809313

IUPAC3-chloro-N-[2-(3-cyclohexylsulfonylazetidin-1-yl)-2-oxoethyl]benzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1cccc(Cl)c1)N1CC(S(=O)(=O)C2CCCCC2)C1
InChIInChI=1S/C17H23ClN2O5S2/c18-13-5-4-8-15(9-13)27(24,25)19-10-17(21)20-11-16(12-20)26(22,23)14-6-2-1-3-7-14/h4-5,8-9,14,16,19H,1-3,6-7,10-12H2
InChIKeyGNUXZONIFFYMMK-UHFFFAOYSA-N
MW434.97 g/mol
LogP1.58
Rot. Bonds6

About 3-chloro-N-[2-(3-cyclohexylsulfonylazetidin-1-yl)-2-oxoethyl]benzenesulfonamide

3-chloro-N-[2-(3-cyclohexylsulfonylazetidin-1-yl)-2-oxoethyl]benzenesulfonamide (PubChem CID 71809313) has the molecular formula C17H23ClN2O5S2 and a molecular weight of 434.97 g/mol. Its IUPAC name is 3-chloro-N-[2-(3-cyclohexylsulfonylazetidin-1-yl)-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-(3-cyclohexylsulfonylazetidin-1-yl)-2-oxoethyl]benzenesulfonamide
PubChem CID71809313
Molecular FormulaC17H23ClN2O5S2
Molecular Weight434.97 g/mol
Exact Mass434.07
IUPAC Name3-chloro-N-[2-(3-cyclohexylsulfonylazetidin-1-yl)-2-oxoethyl]benzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1cccc(Cl)c1)N1CC(S(=O)(=O)C2CCCCC2)C1
InChIInChI=1S/C17H23ClN2O5S2/c18-13-5-4-8-15(9-13)27(24,25)19-10-17(21)20-11-16(12-20)26(22,23)14-6-2-1-3-7-14/h4-5,8-9,14,16,19H,1-3,6-7,10-12H2
InChIKeyGNUXZONIFFYMMK-UHFFFAOYSA-N
XLogP1.58
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.97
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-chloro-N-[2-(3-cyclohexylsulfonylazetidin-1-yl)-2-oxoethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-[2-(3-cyclohexylsulfonylazetidin-1-yl)-2-oxoethyl]-4-fluorobenzenesulfonamide
CID 90593801
1-(3-chlorophenyl)sulfonyl-3-cyclohexylsulfonylazetidine
CID 90594008
N-(3-chlorophenyl)-3-cyclohexylsulfonylazetidine-1-carboxamide
CID 71809355
2-(4-chlorophenyl)-1-(3-cyclohexylsulfonylazetidin-1-yl)ethanone
CID 90593744
3-chloro-N-[2-[4-(2,5-dioxoimidazolidin-1-yl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 121160272
3-chloro-N-(2-cyclopentyl-2-hydroxyethyl)benzenesulfonamide
CID 75469633
3-chloro-N-(cyclopentylmethyl)benzenesulfonamide
CID 43066015
benzyl N-[2-(3-cyclohexylsulfonylazetidin-1-yl)-2-oxoethyl]carbamate
CID 90593963
3-chloro-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 110370874
N-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 63106764
3-chloro-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide
CID 110370807
N-[2-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-2-oxoethyl]-3-methylbenzenesulfonamide
CID 90592982

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(3-cyclohexylsulfonylazetidin-1-yl)-2-oxoethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[2-(3-cyclohexylsulfonylazetidin-1-yl)-2-oxoethyl]benzenesulfonamide (CID 71809313) is 3-chloro-N-[2-(3-cyclohexylsulfonylazetidin-1-yl)-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[2-(3-cyclohexylsulfonylazetidin-1-yl)-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[2-(3-cyclohexylsulfonylazetidin-1-yl)-2-oxoethyl]benzenesulfonamide is O=C(CNS(=O)(=O)c1cccc(Cl)c1)N1CC(S(=O)(=O)C2CCCCC2)C1.
What is the InChIKey of 3-chloro-N-[2-(3-cyclohexylsulfonylazetidin-1-yl)-2-oxoethyl]benzenesulfonamide?
The InChIKey is GNUXZONIFFYMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O5S2/c18-13-5-4-8-15(9-13)27(24,25)19-10-17(21)20-11-16(12-20)26(22,23)14-6-2-1-3-7-14/h4-5,8-9,14,16,19H,1-3,6-7,10-12H2.
What are the key properties of 3-chloro-N-[2-(3-cyclohexylsulfonylazetidin-1-yl)-2-oxoethyl]benzenesulfonamide?
3-chloro-N-[2-(3-cyclohexylsulfonylazetidin-1-yl)-2-oxoethyl]benzenesulfonamide has a molecular weight of 434.97 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(3-cyclohexylsulfonylazetidin-1-yl)-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 71809313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).