N-[(4-chlorophenyl)-cyclopentylmethyl]-4-(trifluoromethoxy)benzenesulfonamide

C19H19ClF3NO3S — CID 164862228

IUPACN-[(4-chlorophenyl)-cyclopentylmethyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NC(c1ccc(Cl)cc1)C1CCCC1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H19ClF3NO3S/c20-15-7-5-14(6-8-15)18(13-3-1-2-4-13)24-28(25,26)17-11-9-16(10-12-17)27-19(21,22)23/h5-13,18,24H,1-4H2
InChIKeyZWNWLONRRYJWHJ-UHFFFAOYSA-N
MW433.88 g/mol
LogP5.45
Rot. Bonds6

About N-[(4-chlorophenyl)-cyclopentylmethyl]-4-(trifluoromethoxy)benzenesulfonamide

N-[(4-chlorophenyl)-cyclopentylmethyl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 164862228) has the molecular formula C19H19ClF3NO3S and a molecular weight of 433.88 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-cyclopentylmethyl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-cyclopentylmethyl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID164862228
Molecular FormulaC19H19ClF3NO3S
Molecular Weight433.88 g/mol
Exact Mass433.07
IUPAC NameN-[(4-chlorophenyl)-cyclopentylmethyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NC(c1ccc(Cl)cc1)C1CCCC1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H19ClF3NO3S/c20-15-7-5-14(6-8-15)18(13-3-1-2-4-13)24-28(25,26)17-11-9-16(10-12-17)27-19(21,22)23/h5-13,18,24H,1-4H2
InChIKeyZWNWLONRRYJWHJ-UHFFFAOYSA-N
XLogP5.45
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.88
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclohexyl-(3,5-dichlorophenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 164861811
N-[(1S)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 164862097
N-[cyclohexyl-[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 114981675
N-[(S)-(2-methylcyclopropyl)-phenylmethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 164861832
N-[(1R,2R)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 155061379
N-[cyclohexyl-(4-methylphenyl)methyl]benzenesulfonamide
CID 11393771
1-cycloheptyl-3-[4-(trifluoromethoxy)phenyl]sulfonylurea
CID 163523295
1-(4-chlorophenyl)-1-cyclopentyl-N-methylmethanamine
CID 43481459
N-(2-amino-1-cyclopentylethyl)-4-chlorobenzenesulfonamide
CID 106737819
N-methyl-1-(4-methylcyclohexyl)-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 104987916
1-(4-chlorophenyl)-1-cyclohexyl-N-methylmethanamine
CID 43481433
N-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 164862918

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-cyclopentylmethyl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[(4-chlorophenyl)-cyclopentylmethyl]-4-(trifluoromethoxy)benzenesulfonamide (CID 164862228) is N-[(4-chlorophenyl)-cyclopentylmethyl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[(4-chlorophenyl)-cyclopentylmethyl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[(4-chlorophenyl)-cyclopentylmethyl]-4-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(NC(c1ccc(Cl)cc1)C1CCCC1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[(4-chlorophenyl)-cyclopentylmethyl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is ZWNWLONRRYJWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3NO3S/c20-15-7-5-14(6-8-15)18(13-3-1-2-4-13)24-28(25,26)17-11-9-16(10-12-17)27-19(21,22)23/h5-13,18,24H,1-4H2.
What are the key properties of N-[(4-chlorophenyl)-cyclopentylmethyl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[(4-chlorophenyl)-cyclopentylmethyl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 433.88 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-cyclopentylmethyl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 164862228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).