N-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide

C16H16ClNO4S2 — CID 21206461

IUPACN-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide
SMILESO=S1(=O)CCC(N(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C16H16ClNO4S2/c17-13-6-8-14(9-7-13)18(15-10-11-23(19,20)12-15)24(21,22)16-4-2-1-3-5-16/h1-9,15H,10-12H2
InChIKeyWNQDVDLXNZPSIH-UHFFFAOYSA-N
MW385.89 g/mol
LogP2.72
Rot. Bonds4

About N-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide

N-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide (PubChem CID 21206461) has the molecular formula C16H16ClNO4S2 and a molecular weight of 385.89 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide
PubChem CID21206461
Molecular FormulaC16H16ClNO4S2
Molecular Weight385.89 g/mol
Exact Mass385.02
IUPAC NameN-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide
SMILESO=S1(=O)CCC(N(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C16H16ClNO4S2/c17-13-6-8-14(9-7-13)18(15-10-11-23(19,20)12-15)24(21,22)16-4-2-1-3-5-16/h1-9,15H,10-12H2
InChIKeyWNQDVDLXNZPSIH-UHFFFAOYSA-N
XLogP2.72
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.89
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-(4-methoxyphenyl)benzenesulfonamide
CID 21206459
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide
CID 47130910
N-(4-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7116277
N-(1,1-dioxothiolan-3-yl)-4-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 3152086
4-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylbenzenesulfonamide
CID 4628212
N-butyl-4-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]benzenesulfonamide
CID 7275916
2-(4-chloro-N-(1,1-dioxothiolan-3-yl)anilino)acetic acid
CID 60834017
N-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7116274
3-chloro-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzenesulfonamide
CID 51284603
3-chloro-N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-methylbenzenesulfonamide
CID 47113430
2-(4-chlorophenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
CID 7816188
N-[(4-chlorophenyl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 7588591

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide?
The IUPAC name of N-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide (CID 21206461) is N-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide is O=S1(=O)CCC(N(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of N-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide?
The InChIKey is WNQDVDLXNZPSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO4S2/c17-13-6-8-14(9-7-13)18(15-10-11-23(19,20)12-15)24(21,22)16-4-2-1-3-5-16/h1-9,15H,10-12H2.
What are the key properties of N-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide?
N-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide has a molecular weight of 385.89 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 21206461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).