N-(4-bromophenyl)-3-tert-butyl-1-cyclopentylpyrazole-4-sulfonamide

C18H24BrN3O2S — CID 42284178

IUPACN-(4-bromophenyl)-3-tert-butyl-1-cyclopentylpyrazole-4-sulfonamide
SMILESCC(C)(C)c1nn(C2CCCC2)cc1S(=O)(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C18H24BrN3O2S/c1-18(2,3)17-16(12-22(20-17)15-6-4-5-7-15)25(23,24)21-14-10-8-13(19)9-11-14/h8-12,15,21H,4-7H2,1-3H3
InChIKeyDARNLADOIWQALQ-UHFFFAOYSA-N
MW426.38 g/mol
LogP4.86
Rot. Bonds4

About N-(4-bromophenyl)-3-tert-butyl-1-cyclopentylpyrazole-4-sulfonamide

N-(4-bromophenyl)-3-tert-butyl-1-cyclopentylpyrazole-4-sulfonamide (PubChem CID 42284178) has the molecular formula C18H24BrN3O2S and a molecular weight of 426.38 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-tert-butyl-1-cyclopentylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-tert-butyl-1-cyclopentylpyrazole-4-sulfonamide
PubChem CID42284178
Molecular FormulaC18H24BrN3O2S
Molecular Weight426.38 g/mol
Exact Mass425.08
IUPAC NameN-(4-bromophenyl)-3-tert-butyl-1-cyclopentylpyrazole-4-sulfonamide
SMILESCC(C)(C)c1nn(C2CCCC2)cc1S(=O)(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C18H24BrN3O2S/c1-18(2,3)17-16(12-22(20-17)15-6-4-5-7-15)25(23,24)21-14-10-8-13(19)9-11-14/h8-12,15,21H,4-7H2,1-3H3
InChIKeyDARNLADOIWQALQ-UHFFFAOYSA-N
XLogP4.86
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.38
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-tert-butyl-1-cyclopentyl-N-(4-hydroxyphenyl)pyrazole-4-sulfonamide
CID 42284183
N-(4-bromophenyl)-1-cyclopentyl-3-methylpyrazole-4-sulfonamide
CID 42282754
3-tert-butyl-1-cyclopentyl-N-(4-ethoxyphenyl)pyrazole-4-sulfonamide
CID 42284188
3-tert-butyl-1-cyclopentyl-N-(3-fluoro-4-methylphenyl)pyrazole-4-sulfonamide
CID 42284222
N,3-ditert-butyl-1-cyclopentylpyrazole-4-sulfonamide
CID 42284077
3-tert-butyl-1-cyclopentyl-N-(1,2-oxazol-3-yl)pyrazole-4-sulfonamide
CID 42284241
3-tert-butyl-1-cyclopentyl-N-(2,3-dichlorophenyl)pyrazole-4-sulfonamide
CID 42284198
3-tert-butyl-1-cyclopentyl-N-(2-ethylphenyl)pyrazole-4-sulfonamide
CID 42284167
N-(4-bromo-2-methylphenyl)-1-cyclopentyl-3-methylpyrazole-4-sulfonamide
CID 42282799
3-tert-butyl-1-cyclopentyl-N-(3-methoxypropyl)pyrazole-4-sulfonamide
CID 42284080
3-tert-butyl-1-cyclopentyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide
CID 42284136
ethyl 4-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]benzoate
CID 42282768

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-tert-butyl-1-cyclopentylpyrazole-4-sulfonamide?
The IUPAC name of N-(4-bromophenyl)-3-tert-butyl-1-cyclopentylpyrazole-4-sulfonamide (CID 42284178) is N-(4-bromophenyl)-3-tert-butyl-1-cyclopentylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-bromophenyl)-3-tert-butyl-1-cyclopentylpyrazole-4-sulfonamide?
The canonical SMILES for N-(4-bromophenyl)-3-tert-butyl-1-cyclopentylpyrazole-4-sulfonamide is CC(C)(C)c1nn(C2CCCC2)cc1S(=O)(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-3-tert-butyl-1-cyclopentylpyrazole-4-sulfonamide?
The InChIKey is DARNLADOIWQALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrN3O2S/c1-18(2,3)17-16(12-22(20-17)15-6-4-5-7-15)25(23,24)21-14-10-8-13(19)9-11-14/h8-12,15,21H,4-7H2,1-3H3.
What are the key properties of N-(4-bromophenyl)-3-tert-butyl-1-cyclopentylpyrazole-4-sulfonamide?
N-(4-bromophenyl)-3-tert-butyl-1-cyclopentylpyrazole-4-sulfonamide has a molecular weight of 426.38 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-tert-butyl-1-cyclopentylpyrazole-4-sulfonamide is sourced from PubChem (CID 42284178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).