N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide

C13H17NO4S2 — CID 47130910

IUPACN-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide
SMILESO=S1(=O)CCC(N(C2CC2)S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C13H17NO4S2/c15-19(16)9-8-12(10-19)14(11-6-7-11)20(17,18)13-4-2-1-3-5-13/h1-5,11-12H,6-10H2
InChIKeyYFPUADWNSBVJLW-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.03
Rot. Bonds4

About N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide

N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide (PubChem CID 47130910) has the molecular formula C13H17NO4S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide
PubChem CID47130910
Molecular FormulaC13H17NO4S2
Molecular Weight315.42 g/mol
Exact Mass315.06
IUPAC NameN-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide
SMILESO=S1(=O)CCC(N(C2CC2)S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C13H17NO4S2/c15-19(16)9-8-12(10-19)14(11-6-7-11)20(17,18)13-4-2-1-3-5-13/h1-5,11-12H,6-10H2
InChIKeyYFPUADWNSBVJLW-UHFFFAOYSA-N
XLogP1.03
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]benzenesulfonamide
CID 52541834
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-4-methylbenzenesulfonamide
CID 51284591
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 55578239
N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-3,4-dimethylbenzenesulfonamide
CID 52541859
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)thiophene-2-sulfonamide
CID 47317810
N-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide
CID 21206461
N-cyclopropyl-N-(oxan-4-yl)benzenesulfonamide
CID 110873083
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-3-fluoro-4-methylbenzenesulfonamide
CID 56684512
3-chloro-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzenesulfonamide
CID 51284603
N-(1,1-dioxothiolan-3-yl)-N-(4-methoxyphenyl)benzenesulfonamide
CID 21206459
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 75905616
3-chloro-4-cyano-N-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]benzenesulfonamide
CID 52707794

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide (CID 47130910) is N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide is O=S1(=O)CCC(N(C2CC2)S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide?
The InChIKey is YFPUADWNSBVJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S2/c15-19(16)9-8-12(10-19)14(11-6-7-11)20(17,18)13-4-2-1-3-5-13/h1-5,11-12H,6-10H2.
What are the key properties of N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide?
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide has a molecular weight of 315.42 g/mol, XLogP of 1.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 47130910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).