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

C13H15ClFNO4S2 — CID 51284603

IUPAC3-chloro-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzenesulfonamide
SMILESO=S1(=O)CCC(N(C2CC2)S(=O)(=O)c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C13H15ClFNO4S2/c14-12-7-11(3-4-13(12)15)22(19,20)16(9-1-2-9)10-5-6-21(17,18)8-10/h3-4,7,9-10H,1-2,5-6,8H2
InChIKeyUXZYEYZPVZZESY-UHFFFAOYSA-N
MW367.85 g/mol
LogP1.82
Rot. Bonds4

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

3-chloro-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzenesulfonamide (PubChem CID 51284603) has the molecular formula C13H15ClFNO4S2 and a molecular weight of 367.85 g/mol. Its IUPAC name is 3-chloro-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzenesulfonamide
PubChem CID51284603
Molecular FormulaC13H15ClFNO4S2
Molecular Weight367.85 g/mol
Exact Mass367.01
IUPAC Name3-chloro-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzenesulfonamide
SMILESO=S1(=O)CCC(N(C2CC2)S(=O)(=O)c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C13H15ClFNO4S2/c14-12-7-11(3-4-13(12)15)22(19,20)16(9-1-2-9)10-5-6-21(17,18)8-10/h3-4,7,9-10H,1-2,5-6,8H2
InChIKeyUXZYEYZPVZZESY-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-(1,1-dioxothiolan-3-yl)-4-fluoro-N-methylbenzenesulfonamide
CID 47113430
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-3-fluoro-4-methylbenzenesulfonamide
CID 56684512
3-chloro-4-cyano-N-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]benzenesulfonamide
CID 52707794
4-chloro-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzenesulfonamide
CID 51284609
N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-3,4-dimethylbenzenesulfonamide
CID 52541859
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)benzenesulfonamide
CID 47130910
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 55578239
3-chloro-N-(1,1-dioxothiolan-3-yl)-N,4-dimethylbenzenesulfonamide
CID 47190072
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 75905616
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-3,4-diethoxybenzenesulfonamide
CID 55578389

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzenesulfonamide?
The IUPAC name of 3-chloro-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzenesulfonamide (CID 51284603) is 3-chloro-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 3-chloro-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzenesulfonamide is O=S1(=O)CCC(N(C2CC2)S(=O)(=O)c2ccc(F)c(Cl)c2)C1.
What is the InChIKey of 3-chloro-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzenesulfonamide?
The InChIKey is UXZYEYZPVZZESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO4S2/c14-12-7-11(3-4-13(12)15)22(19,20)16(9-1-2-9)10-5-6-21(17,18)8-10/h3-4,7,9-10H,1-2,5-6,8H2.
What are the key properties of 3-chloro-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzenesulfonamide?
3-chloro-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-4-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 3-chloro-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 51284603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).