4-chloro-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzenesulfonamide

C13H15ClFNO4S2 — CID 51284609

IUPAC4-chloro-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzenesulfonamide
SMILESO=S1(=O)CCC(N(C2CC2)S(=O)(=O)c2ccc(Cl)cc2F)C1
InChIInChI=1S/C13H15ClFNO4S2/c14-9-1-4-13(12(15)7-9)22(19,20)16(10-2-3-10)11-5-6-21(17,18)8-11/h1,4,7,10-11H,2-3,5-6,8H2
InChIKeyGOVVGXYGXCVPKD-UHFFFAOYSA-N
MW367.85 g/mol
LogP1.82
Rot. Bonds4

About 4-chloro-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzenesulfonamide

4-chloro-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzenesulfonamide (PubChem CID 51284609) has the molecular formula C13H15ClFNO4S2 and a molecular weight of 367.85 g/mol. Its IUPAC name is 4-chloro-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzenesulfonamide
PubChem CID51284609
Molecular FormulaC13H15ClFNO4S2
Molecular Weight367.85 g/mol
Exact Mass367.01
IUPAC Name4-chloro-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzenesulfonamide
SMILESO=S1(=O)CCC(N(C2CC2)S(=O)(=O)c2ccc(Cl)cc2F)C1
InChIInChI=1S/C13H15ClFNO4S2/c14-9-1-4-13(12(15)7-9)22(19,20)16(10-2-3-10)11-5-6-21(17,18)8-11/h1,4,7,10-11H,2-3,5-6,8H2
InChIKeyGOVVGXYGXCVPKD-UHFFFAOYSA-N
XLogP1.82
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.85
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzenesulfonamide
CID 51284603
2,4-dibromo-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide
CID 55873872
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-3-fluoro-4-methylbenzenesulfonamide
CID 56684512
4-(chloromethyl)-N-(1,1-dioxothiolan-3-yl)-2-fluoro-N-methylbenzenesulfonamide
CID 79177232
3-chloro-N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-methylbenzenesulfonamide
CID 47113430
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide
CID 47130910
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-4-methylbenzenesulfonamide
CID 51284591
4-bromo-N-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]benzenesulfonamide
CID 52541834
N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-3,4-dimethylbenzenesulfonamide
CID 52541859
3-chloro-4-cyano-N-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]benzenesulfonamide
CID 52707794
(3S)-3-[4-(4-chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]thiolane 1,1-dioxide
CID 8818286
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)thiophene-2-sulfonamide
CID 47317810

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzenesulfonamide?
The IUPAC name of 4-chloro-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzenesulfonamide (CID 51284609) is 4-chloro-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-chloro-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzenesulfonamide is O=S1(=O)CCC(N(C2CC2)S(=O)(=O)c2ccc(Cl)cc2F)C1.
What is the InChIKey of 4-chloro-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzenesulfonamide?
The InChIKey is GOVVGXYGXCVPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO4S2/c14-9-1-4-13(12(15)7-9)22(19,20)16(10-2-3-10)11-5-6-21(17,18)8-11/h1,4,7,10-11H,2-3,5-6,8H2.
What are the key properties of 4-chloro-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzenesulfonamide?
4-chloro-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzenesulfonamide has a molecular weight of 367.85 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 51284609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).