4-fluoro-N-(1-phenylcyclopropyl)benzenesulfonamide

C15H14FNO2S — CID 110446070

IUPAC4-fluoro-N-(1-phenylcyclopropyl)benzenesulfonamide
SMILESO=S(=O)(NC1(c2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C15H14FNO2S/c16-13-6-8-14(9-7-13)20(18,19)17-15(10-11-15)12-4-2-1-3-5-12/h1-9,17H,10-11H2
InChIKeyPDMSBWQSGONKBR-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.79
Rot. Bonds4

About 4-fluoro-N-(1-phenylcyclopropyl)benzenesulfonamide

4-fluoro-N-(1-phenylcyclopropyl)benzenesulfonamide (PubChem CID 110446070) has the molecular formula C15H14FNO2S and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-fluoro-N-(1-phenylcyclopropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(1-phenylcyclopropyl)benzenesulfonamide
PubChem CID110446070
Molecular FormulaC15H14FNO2S
Molecular Weight291.35 g/mol
Exact Mass291.07
IUPAC Name4-fluoro-N-(1-phenylcyclopropyl)benzenesulfonamide
SMILESO=S(=O)(NC1(c2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C15H14FNO2S/c16-13-6-8-14(9-7-13)20(18,19)17-15(10-11-15)12-4-2-1-3-5-12/h1-9,17H,10-11H2
InChIKeyPDMSBWQSGONKBR-UHFFFAOYSA-N
XLogP2.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-bromophenyl)cyclopropyl]-4-fluorobenzenesulfonamide
CID 52669958
2,6-difluoro-N-(1-phenylcyclopropyl)benzenesulfonamide
CID 166183250
N-[1-(4-fluorophenyl)cyclopropyl]-4-propan-2-yloxybenzenesulfonamide
CID 110446596
N-[1-(4-fluorophenyl)cyclopropyl]thiophene-2-sulfonamide
CID 110440540
4-cyclopentyloxy-N-(1-phenylcyclobutyl)benzenesulfonamide
CID 113091508
4-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide
CID 47377345
N-[3-[(1-phenylcyclopropyl)sulfamoyl]phenyl]acetamide
CID 110446289
5-chloro-N-[1-(4-fluorophenyl)cyclopropyl]thiophene-2-sulfonamide
CID 16674138
4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 62519723
2,4-dioxo-N-(1-phenylcyclopentyl)-1H-quinazoline-6-sulfonamide
CID 46966742
N-[(3R)-3-(4-fluorophenyl)pyrrolidin-3-yl]-4-propan-2-yloxybenzenesulfonamide
CID 169225033
4-fluoro-N-[5-(1-phenylcyclopropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 119047604

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(1-phenylcyclopropyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(1-phenylcyclopropyl)benzenesulfonamide (CID 110446070) is 4-fluoro-N-(1-phenylcyclopropyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(1-phenylcyclopropyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(1-phenylcyclopropyl)benzenesulfonamide is O=S(=O)(NC1(c2ccccc2)CC1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(1-phenylcyclopropyl)benzenesulfonamide?
The InChIKey is PDMSBWQSGONKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2S/c16-13-6-8-14(9-7-13)20(18,19)17-15(10-11-15)12-4-2-1-3-5-12/h1-9,17H,10-11H2.
What are the key properties of 4-fluoro-N-(1-phenylcyclopropyl)benzenesulfonamide?
4-fluoro-N-(1-phenylcyclopropyl)benzenesulfonamide has a molecular weight of 291.35 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(1-phenylcyclopropyl)benzenesulfonamide is sourced from PubChem (CID 110446070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).