N-[1-(4-fluorophenyl)cyclopropyl]-4-propan-2-yloxybenzenesulfonamide

C18H20FNO3S — CID 110446596

IUPACN-[1-(4-fluorophenyl)cyclopropyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)NC2(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C18H20FNO3S/c1-13(2)23-16-7-9-17(10-8-16)24(21,22)20-18(11-12-18)14-3-5-15(19)6-4-14/h3-10,13,20H,11-12H2,1-2H3
InChIKeyYDCFZMDVRWRBBF-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.58
Rot. Bonds6

About N-[1-(4-fluorophenyl)cyclopropyl]-4-propan-2-yloxybenzenesulfonamide

N-[1-(4-fluorophenyl)cyclopropyl]-4-propan-2-yloxybenzenesulfonamide (PubChem CID 110446596) has the molecular formula C18H20FNO3S and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)cyclopropyl]-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)cyclopropyl]-4-propan-2-yloxybenzenesulfonamide
PubChem CID110446596
Molecular FormulaC18H20FNO3S
Molecular Weight349.43 g/mol
Exact Mass349.11
IUPAC NameN-[1-(4-fluorophenyl)cyclopropyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)NC2(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C18H20FNO3S/c1-13(2)23-16-7-9-17(10-8-16)24(21,22)20-18(11-12-18)14-3-5-15(19)6-4-14/h3-10,13,20H,11-12H2,1-2H3
InChIKeyYDCFZMDVRWRBBF-UHFFFAOYSA-N
XLogP3.58
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-3-(4-fluorophenyl)pyrrolidin-3-yl]-4-propan-2-yloxybenzenesulfonamide
CID 169225033
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-4-propan-2-yloxybenzenesulfonamide
CID 113091355
N-[1-(4-bromophenyl)cyclopropyl]-4-fluorobenzenesulfonamide
CID 52669958
4-fluoro-N-(1-phenylcyclopropyl)benzenesulfonamide
CID 110446070
N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-propan-2-yloxybenzenesulfonamide
CID 110291474
N-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-propan-2-yloxybenzenesulfonamide
CID 110665841
4-[[4-[1-(4-fluorophenyl)ethoxy]phenyl]sulfonylamino]oxane-4-carboxylic acid
CID 18703979
N-[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-4-propan-2-yloxybenzenesulfonamide
CID 99819658
4-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide
CID 47377345
N-[2-(methylamino)propyl]-4-propan-2-yloxybenzenesulfonamide
CID 120824310
(2R)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]propanoic acid
CID 42254919
N-[1-(4-fluorophenyl)cyclopropyl]thiophene-2-sulfonamide
CID 110440540

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)cyclopropyl]-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of N-[1-(4-fluorophenyl)cyclopropyl]-4-propan-2-yloxybenzenesulfonamide (CID 110446596) is N-[1-(4-fluorophenyl)cyclopropyl]-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)cyclopropyl]-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for N-[1-(4-fluorophenyl)cyclopropyl]-4-propan-2-yloxybenzenesulfonamide is CC(C)Oc1ccc(S(=O)(=O)NC2(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)cyclopropyl]-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is YDCFZMDVRWRBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3S/c1-13(2)23-16-7-9-17(10-8-16)24(21,22)20-18(11-12-18)14-3-5-15(19)6-4-14/h3-10,13,20H,11-12H2,1-2H3.
What are the key properties of N-[1-(4-fluorophenyl)cyclopropyl]-4-propan-2-yloxybenzenesulfonamide?
N-[1-(4-fluorophenyl)cyclopropyl]-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 349.43 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)cyclopropyl]-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 110446596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).