N-cyclohexyl-3-[(3S)-1,1-dioxothiolan-3-yl]sulfonylbenzenesulfonamide

C16H23NO6S3 — CID 38996571

IUPACN-cyclohexyl-3-[(3S)-1,1-dioxothiolan-3-yl]sulfonylbenzenesulfonamide
SMILESO=S1(=O)CC[C@H](S(=O)(=O)c2cccc(S(=O)(=O)NC3CCCCC3)c2)C1
InChIInChI=1S/C16H23NO6S3/c18-24(19)10-9-16(12-24)25(20,21)14-7-4-8-15(11-14)26(22,23)17-13-5-2-1-3-6-13/h4,7-8,11,13,16-17H,1-3,5-6,9-10,12H2/t16-/m0/s1
InChIKeyUQRQWGMDNPHXKE-INIZCTEOSA-N
MW421.56 g/mol
LogP1.26
Rot. Bonds5

About N-cyclohexyl-3-[(3S)-1,1-dioxothiolan-3-yl]sulfonylbenzenesulfonamide

N-cyclohexyl-3-[(3S)-1,1-dioxothiolan-3-yl]sulfonylbenzenesulfonamide (PubChem CID 38996571) has the molecular formula C16H23NO6S3 and a molecular weight of 421.56 g/mol. Its IUPAC name is N-cyclohexyl-3-[(3S)-1,1-dioxothiolan-3-yl]sulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[(3S)-1,1-dioxothiolan-3-yl]sulfonylbenzenesulfonamide
PubChem CID38996571
Molecular FormulaC16H23NO6S3
Molecular Weight421.56 g/mol
Exact Mass421.07
IUPAC NameN-cyclohexyl-3-[(3S)-1,1-dioxothiolan-3-yl]sulfonylbenzenesulfonamide
SMILESO=S1(=O)CC[C@H](S(=O)(=O)c2cccc(S(=O)(=O)NC3CCCCC3)c2)C1
InChIInChI=1S/C16H23NO6S3/c18-24(19)10-9-16(12-24)25(20,21)14-7-4-8-15(11-14)26(22,23)17-13-5-2-1-3-6-13/h4,7-8,11,13,16-17H,1-3,5-6,9-10,12H2/t16-/m0/s1
InChIKeyUQRQWGMDNPHXKE-INIZCTEOSA-N
XLogP1.26
TPSA114.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.56
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclohexyl-3-[(3S)-1,1-dioxothiolan-3-yl]sulfonylbenzenesulfonamide 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

N-cycloheptyl-3-(1,1-dioxothiolan-3-yl)sulfonylbenzenesulfonamide
CID 42654682
N-tert-butyl-3-(1,1-dioxothiolan-3-yl)sulfonylbenzenesulfonamide
CID 42655920
N-(2-bromophenyl)-3-[(3R)-1,1-dioxothiolan-3-yl]sulfonylbenzenesulfonamide
CID 38996876
N-(2,4-dichlorophenyl)-3-[(3R)-1,1-dioxothiolan-3-yl]sulfonylbenzenesulfonamide
CID 38996892
3-[(3S)-1,1-dioxothiolan-3-yl]sulfonyl-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 38996753
N-cyclohexyl-3-methylsulfonylbenzenesulfonamide
CID 6462647
3-(1,1-dioxothiolan-3-yl)sulfonyl-N-(4-propan-2-yloxyphenyl)benzenesulfonamide
CID 42655114
N-cyclopentyl-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 109063223
N-(3-chloro-4-methoxyphenyl)-3-[(3S)-1,1-dioxothiolan-3-yl]sulfonylbenzenesulfonamide
CID 38996789
N-cyclooctyl-3-fluorobenzenesulfonamide
CID 26948335
N-cyclooctyl-3-methylbenzenesulfonamide
CID 2497018
3-(1,1-dioxothiolan-3-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 42656206

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[(3S)-1,1-dioxothiolan-3-yl]sulfonylbenzenesulfonamide?
The IUPAC name of N-cyclohexyl-3-[(3S)-1,1-dioxothiolan-3-yl]sulfonylbenzenesulfonamide (CID 38996571) is N-cyclohexyl-3-[(3S)-1,1-dioxothiolan-3-yl]sulfonylbenzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-3-[(3S)-1,1-dioxothiolan-3-yl]sulfonylbenzenesulfonamide?
The canonical SMILES for N-cyclohexyl-3-[(3S)-1,1-dioxothiolan-3-yl]sulfonylbenzenesulfonamide is O=S1(=O)CC[C@H](S(=O)(=O)c2cccc(S(=O)(=O)NC3CCCCC3)c2)C1.
What is the InChIKey of N-cyclohexyl-3-[(3S)-1,1-dioxothiolan-3-yl]sulfonylbenzenesulfonamide?
The InChIKey is UQRQWGMDNPHXKE-INIZCTEOSA-N. The full InChI is InChI=1S/C16H23NO6S3/c18-24(19)10-9-16(12-24)25(20,21)14-7-4-8-15(11-14)26(22,23)17-13-5-2-1-3-6-13/h4,7-8,11,13,16-17H,1-3,5-6,9-10,12H2/t16-/m0/s1.
What are the key properties of N-cyclohexyl-3-[(3S)-1,1-dioxothiolan-3-yl]sulfonylbenzenesulfonamide?
N-cyclohexyl-3-[(3S)-1,1-dioxothiolan-3-yl]sulfonylbenzenesulfonamide has a molecular weight of 421.56 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[(3S)-1,1-dioxothiolan-3-yl]sulfonylbenzenesulfonamide is sourced from PubChem (CID 38996571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).