N-cyclopentyl-5-fluoro-2-methoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide

C18H21F4N3O3S — CID 121020238

IUPACN-cyclopentyl-5-fluoro-2-methoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)N(CCn1ccc(C(F)(F)F)n1)C1CCCC1
InChIInChI=1S/C18H21F4N3O3S/c1-28-15-7-6-13(19)12-16(15)29(26,27)25(14-4-2-3-5-14)11-10-24-9-8-17(23-24)18(20,21)22/h6-9,12,14H,2-5,10-11H2,1H3
InChIKeyCPLBKONWFWPAGE-UHFFFAOYSA-N
MW435.44 g/mol
LogP3.68
Rot. Bonds7

About N-cyclopentyl-5-fluoro-2-methoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide

N-cyclopentyl-5-fluoro-2-methoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide (PubChem CID 121020238) has the molecular formula C18H21F4N3O3S and a molecular weight of 435.44 g/mol. Its IUPAC name is N-cyclopentyl-5-fluoro-2-methoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-5-fluoro-2-methoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide
PubChem CID121020238
Molecular FormulaC18H21F4N3O3S
Molecular Weight435.44 g/mol
Exact Mass435.12
IUPAC NameN-cyclopentyl-5-fluoro-2-methoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)N(CCn1ccc(C(F)(F)F)n1)C1CCCC1
InChIInChI=1S/C18H21F4N3O3S/c1-28-15-7-6-13(19)12-16(15)29(26,27)25(14-4-2-3-5-14)11-10-24-9-8-17(23-24)18(20,21)22/h6-9,12,14H,2-5,10-11H2,1H3
InChIKeyCPLBKONWFWPAGE-UHFFFAOYSA-N
XLogP3.68
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.44
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-fluoro-2-methoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide?
The IUPAC name of N-cyclopentyl-5-fluoro-2-methoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide (CID 121020238) is N-cyclopentyl-5-fluoro-2-methoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for N-cyclopentyl-5-fluoro-2-methoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide?
The canonical SMILES for N-cyclopentyl-5-fluoro-2-methoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide is COc1ccc(F)cc1S(=O)(=O)N(CCn1ccc(C(F)(F)F)n1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-5-fluoro-2-methoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide?
The InChIKey is CPLBKONWFWPAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F4N3O3S/c1-28-15-7-6-13(19)12-16(15)29(26,27)25(14-4-2-3-5-14)11-10-24-9-8-17(23-24)18(20,21)22/h6-9,12,14H,2-5,10-11H2,1H3.
What are the key properties of N-cyclopentyl-5-fluoro-2-methoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide?
N-cyclopentyl-5-fluoro-2-methoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide has a molecular weight of 435.44 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-fluoro-2-methoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 121020238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).