N-(3-chloro-4-fluorophenyl)-1-cyclopentyl-3-thiophen-2-ylpyrazole-4-sulfonamide

C18H17ClFN3O2S2 — CID 42351101

IUPACN-(3-chloro-4-fluorophenyl)-1-cyclopentyl-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(Cl)c1)c1cn(C2CCCC2)nc1-c1cccs1
InChIInChI=1S/C18H17ClFN3O2S2/c19-14-10-12(7-8-15(14)20)22-27(24,25)17-11-23(13-4-1-2-5-13)21-18(17)16-6-3-9-26-16/h3,6-11,13,22H,1-2,4-5H2
InChIKeyBVLBDNRBMKXQDV-UHFFFAOYSA-N
MW425.94 g/mol
LogP5.32
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-1-cyclopentyl-3-thiophen-2-ylpyrazole-4-sulfonamide

N-(3-chloro-4-fluorophenyl)-1-cyclopentyl-3-thiophen-2-ylpyrazole-4-sulfonamide (PubChem CID 42351101) has the molecular formula C18H17ClFN3O2S2 and a molecular weight of 425.94 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1-cyclopentyl-3-thiophen-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1-cyclopentyl-3-thiophen-2-ylpyrazole-4-sulfonamide
PubChem CID42351101
Molecular FormulaC18H17ClFN3O2S2
Molecular Weight425.94 g/mol
Exact Mass425.04
IUPAC NameN-(3-chloro-4-fluorophenyl)-1-cyclopentyl-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(Cl)c1)c1cn(C2CCCC2)nc1-c1cccs1
InChIInChI=1S/C18H17ClFN3O2S2/c19-14-10-12(7-8-15(14)20)22-27(24,25)17-11-23(13-4-1-2-5-13)21-18(17)16-6-3-9-26-16/h3,6-11,13,22H,1-2,4-5H2
InChIKeyBVLBDNRBMKXQDV-UHFFFAOYSA-N
XLogP5.32
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.94
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopentyl-N-(3-fluoro-4-methylphenyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42351136
1-cyclopentyl-N-(2-methylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350772
1-cyclopentyl-N-[(2,6-difluorophenyl)methyl]-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42351188
N-(1,3-benzothiazol-2-yl)-1-cyclopentyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285372
1-cyclopentyl-N-(6-methyl-1,3-benzothiazol-2-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285373
1-cyclopentyl-N-(3,3-diphenylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350976
1-(1-cyclopentyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperidin-4-ol
CID 42350649
N-(3-fluoro-4-methylphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350500
N-(1,3-benzodioxol-5-yl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285209
1-cyclopentyl-N,N-bis(2-methylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350593
N-cyclohexyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349762
N-cyclododecyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349778

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-1-cyclopentyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1-cyclopentyl-3-thiophen-2-ylpyrazole-4-sulfonamide (CID 42351101) is N-(3-chloro-4-fluorophenyl)-1-cyclopentyl-3-thiophen-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1-cyclopentyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1-cyclopentyl-3-thiophen-2-ylpyrazole-4-sulfonamide is O=S(=O)(Nc1ccc(F)c(Cl)c1)c1cn(C2CCCC2)nc1-c1cccs1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1-cyclopentyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The InChIKey is BVLBDNRBMKXQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN3O2S2/c19-14-10-12(7-8-15(14)20)22-27(24,25)17-11-23(13-4-1-2-5-13)21-18(17)16-6-3-9-26-16/h3,6-11,13,22H,1-2,4-5H2.
What are the key properties of N-(3-chloro-4-fluorophenyl)-1-cyclopentyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
N-(3-chloro-4-fluorophenyl)-1-cyclopentyl-3-thiophen-2-ylpyrazole-4-sulfonamide has a molecular weight of 425.94 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-1-cyclopentyl-3-thiophen-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 42351101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).