4-cyclopentyloxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide

C18H18F3NO3S — CID 113098678

IUPAC4-cyclopentyloxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C18H18F3NO3S/c19-18(20,21)13-5-7-14(8-6-13)22-26(23,24)17-11-9-16(10-12-17)25-15-3-1-2-4-15/h5-12,15,22H,1-4H2
InChIKeyOODFNZKYCFURQT-UHFFFAOYSA-N
MW385.41 g/mol
LogP4.83
Rot. Bonds5

About 4-cyclopentyloxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide

4-cyclopentyloxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 113098678) has the molecular formula C18H18F3NO3S and a molecular weight of 385.41 g/mol. Its IUPAC name is 4-cyclopentyloxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyclopentyloxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID113098678
Molecular FormulaC18H18F3NO3S
Molecular Weight385.41 g/mol
Exact Mass385.10
IUPAC Name4-cyclopentyloxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C18H18F3NO3S/c19-18(20,21)13-5-7-14(8-6-13)22-26(23,24)17-11-9-16(10-12-17)25-15-3-1-2-4-15/h5-12,15,22H,1-4H2
InChIKeyOODFNZKYCFURQT-UHFFFAOYSA-N
XLogP4.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyclopentyloxyphenyl)-2,6-difluorobenzenesulfonamide
CID 35548239
4-bromo-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2212078
N-(1,3-benzodioxol-5-yl)-4-cyclopentyloxybenzenesulfonamide
CID 110426256
N-(4-cyclopentyloxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 35548290
N-(4-cyclopentyloxyphenyl)-2,5-difluorobenzenesulfonamide
CID 35548330
N-(4-phenylmethoxyphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 166627714
4-cyclopentyloxy-N-[3-(2,2,2-trifluoroethoxy)propyl]benzenesulfonamide
CID 87032494
4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3791590
methyl N-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]carbamate
CID 21239301
5-chloro-N-(4-cyclopentyloxyphenyl)thiophene-2-sulfonamide
CID 35548201
N-(4-cyclopentyloxyphenyl)-4-(methylsulfamoyl)benzamide
CID 38455287
4-methyl-N-[4-(oxetan-3-yloxy)phenyl]benzenesulfonamide
CID 169372477

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-cyclopentyloxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide (CID 113098678) is 4-cyclopentyloxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-cyclopentyloxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-cyclopentyloxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1ccc(OC2CCCC2)cc1.
What is the InChIKey of 4-cyclopentyloxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is OODFNZKYCFURQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO3S/c19-18(20,21)13-5-7-14(8-6-13)22-26(23,24)17-11-9-16(10-12-17)25-15-3-1-2-4-15/h5-12,15,22H,1-4H2.
What are the key properties of 4-cyclopentyloxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
4-cyclopentyloxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 385.41 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 113098678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).