N-[1-(4-fluorobenzoyl)cyclopropyl]ethanesulfonamide

C12H14FNO3S — CID 167912369

IUPACN-[1-(4-fluorobenzoyl)cyclopropyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C12H14FNO3S/c1-2-18(16,17)14-12(7-8-12)11(15)9-3-5-10(13)6-4-9/h3-6,14H,2,7-8H2,1H3
InChIKeyQKEBKNLQCKCZCO-UHFFFAOYSA-N
MW271.31 g/mol
LogP1.48
Rot. Bonds5

About N-[1-(4-fluorobenzoyl)cyclopropyl]ethanesulfonamide

N-[1-(4-fluorobenzoyl)cyclopropyl]ethanesulfonamide (PubChem CID 167912369) has the molecular formula C12H14FNO3S and a molecular weight of 271.31 g/mol. Its IUPAC name is N-[1-(4-fluorobenzoyl)cyclopropyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-(4-fluorobenzoyl)cyclopropyl]ethanesulfonamide
PubChem CID167912369
Molecular FormulaC12H14FNO3S
Molecular Weight271.31 g/mol
Exact Mass271.07
IUPAC NameN-[1-(4-fluorobenzoyl)cyclopropyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C12H14FNO3S/c1-2-18(16,17)14-12(7-8-12)11(15)9-3-5-10(13)6-4-9/h3-6,14H,2,7-8H2,1H3
InChIKeyQKEBKNLQCKCZCO-UHFFFAOYSA-N
XLogP1.48
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(4-fluorobenzoyl)cyclopropyl]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-fluorophenyl)-[1-(hydroxymethyl)cyclopropyl]methanone
CID 116921067
(1-ethoxycyclohexyl)-(4-fluorophenyl)methanone
CID 116748423
[(1R,2R)-1,2-diamino-2-(4-fluorobenzoyl)cyclohexyl]-(4-fluorophenyl)methanone
CID 175763993
4-(ethylsulfonylamino)-N-(4-fluorophenyl)-N-methylbenzamide
CID 100785367
(4-fluorophenyl)-(2-methylpyrrolidin-2-yl)methanone
CID 116580446
(4-fluorophenyl)-(3-methylpyrrolidin-3-yl)methanone
CID 116569947
1-(4-fluorophenyl)-2-(1-methylcyclopropyl)ethanone
CID 130987809
2-(ethylamino)-1-(4-fluorophenyl)-2-methylpropan-1-one
CID 116566054
[3-ethyl-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-(4-fluorophenyl)methanone
CID 11336840
1-(4-fluorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]methanesulfonamide
CID 115902929
4-(4-fluorobenzoyl)-4-methylpiperidine-1-carboxylic acid
CID 69121595
1-fluoro-4-[(Z)-2-iodo-1-methylsulfonylethenyl]benzene
CID 132600252

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorobenzoyl)cyclopropyl]ethanesulfonamide?
The IUPAC name of N-[1-(4-fluorobenzoyl)cyclopropyl]ethanesulfonamide (CID 167912369) is N-[1-(4-fluorobenzoyl)cyclopropyl]ethanesulfonamide.
What is the SMILES notation for N-[1-(4-fluorobenzoyl)cyclopropyl]ethanesulfonamide?
The canonical SMILES for N-[1-(4-fluorobenzoyl)cyclopropyl]ethanesulfonamide is CCS(=O)(=O)NC1(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-[1-(4-fluorobenzoyl)cyclopropyl]ethanesulfonamide?
The InChIKey is QKEBKNLQCKCZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3S/c1-2-18(16,17)14-12(7-8-12)11(15)9-3-5-10(13)6-4-9/h3-6,14H,2,7-8H2,1H3.
What are the key properties of N-[1-(4-fluorobenzoyl)cyclopropyl]ethanesulfonamide?
N-[1-(4-fluorobenzoyl)cyclopropyl]ethanesulfonamide has a molecular weight of 271.31 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorobenzoyl)cyclopropyl]ethanesulfonamide is sourced from PubChem (CID 167912369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).