1-(2-chlorophenyl)-N-[3-(1,1-dioxothiolan-3-yl)propyl]methanesulfonamide

C14H20ClNO4S2 — CID 110603018

IUPAC1-(2-chlorophenyl)-N-[3-(1,1-dioxothiolan-3-yl)propyl]methanesulfonamide
SMILESO=S1(=O)CCC(CCCNS(=O)(=O)Cc2ccccc2Cl)C1
InChIInChI=1S/C14H20ClNO4S2/c15-14-6-2-1-5-13(14)11-22(19,20)16-8-3-4-12-7-9-21(17,18)10-12/h1-2,5-6,12,16H,3-4,7-11H2
InChIKeyCVBAKOJLWXEKRE-UHFFFAOYSA-N
MW365.90 g/mol
LogP1.97
Rot. Bonds7

About 1-(2-chlorophenyl)-N-[3-(1,1-dioxothiolan-3-yl)propyl]methanesulfonamide

1-(2-chlorophenyl)-N-[3-(1,1-dioxothiolan-3-yl)propyl]methanesulfonamide (PubChem CID 110603018) has the molecular formula C14H20ClNO4S2 and a molecular weight of 365.90 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[3-(1,1-dioxothiolan-3-yl)propyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[3-(1,1-dioxothiolan-3-yl)propyl]methanesulfonamide
PubChem CID110603018
Molecular FormulaC14H20ClNO4S2
Molecular Weight365.90 g/mol
Exact Mass365.05
IUPAC Name1-(2-chlorophenyl)-N-[3-(1,1-dioxothiolan-3-yl)propyl]methanesulfonamide
SMILESO=S1(=O)CCC(CCCNS(=O)(=O)Cc2ccccc2Cl)C1
InChIInChI=1S/C14H20ClNO4S2/c15-14-6-2-1-5-13(14)11-22(19,20)16-8-3-4-12-7-9-21(17,18)10-12/h1-2,5-6,12,16H,3-4,7-11H2
InChIKeyCVBAKOJLWXEKRE-UHFFFAOYSA-N
XLogP1.97
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.90
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-chlorophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]methanesulfonamide
CID 110722896
N-[(2-chlorophenyl)methyl]-2-(1,1-dioxothiolan-3-yl)ethanamine
CID 90100839
2-chloro-N-[3-(1,1-dioxothiolan-3-yl)propyl]benzamide
CID 110418920
1-(2-chlorophenyl)-N-heptylmethanesulfonamide
CID 17257569
1-(2-cyanophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]methanesulfonamide
CID 60734497
1-(2-chlorophenyl)-N-(3-methoxypropyl)methanesulfonamide
CID 4317850
N-[3-(1,1-dioxothiolan-3-yl)propyl]-2,5-dimethylbenzenesulfonamide
CID 110603003
3-(1,1-dioxothiolan-3-yl)-N-(propan-2-ylsulfamoyl)propan-1-amine
CID 110610699
1-(2-chlorophenyl)-N-(2-cycloheptyloxyethyl)methanesulfonamide
CID 86972438
N-[3-(1,1-dioxothiolan-3-yl)propyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 110419004
N-[3-(1,1-dioxothiolan-3-yl)propyl]-2,5-dimethoxybenzenesulfonamide
CID 110603011
(E)-N-[3-(1,1-dioxothiolan-3-yl)propyl]-3-phenylbut-2-enamide
CID 110417118

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[3-(1,1-dioxothiolan-3-yl)propyl]methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[3-(1,1-dioxothiolan-3-yl)propyl]methanesulfonamide (CID 110603018) is 1-(2-chlorophenyl)-N-[3-(1,1-dioxothiolan-3-yl)propyl]methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[3-(1,1-dioxothiolan-3-yl)propyl]methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[3-(1,1-dioxothiolan-3-yl)propyl]methanesulfonamide is O=S1(=O)CCC(CCCNS(=O)(=O)Cc2ccccc2Cl)C1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[3-(1,1-dioxothiolan-3-yl)propyl]methanesulfonamide?
The InChIKey is CVBAKOJLWXEKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO4S2/c15-14-6-2-1-5-13(14)11-22(19,20)16-8-3-4-12-7-9-21(17,18)10-12/h1-2,5-6,12,16H,3-4,7-11H2.
What are the key properties of 1-(2-chlorophenyl)-N-[3-(1,1-dioxothiolan-3-yl)propyl]methanesulfonamide?
1-(2-chlorophenyl)-N-[3-(1,1-dioxothiolan-3-yl)propyl]methanesulfonamide has a molecular weight of 365.90 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[3-(1,1-dioxothiolan-3-yl)propyl]methanesulfonamide is sourced from PubChem (CID 110603018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).