N-(4-bromophenyl)-1-cyclopentyl-3-methylpyrazole-4-sulfonamide

C15H18BrN3O2S — CID 42282754

IUPACN-(4-bromophenyl)-1-cyclopentyl-3-methylpyrazole-4-sulfonamide
SMILESCc1nn(C2CCCC2)cc1S(=O)(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H18BrN3O2S/c1-11-15(10-19(17-11)14-4-2-3-5-14)22(20,21)18-13-8-6-12(16)7-9-13/h6-10,14,18H,2-5H2,1H3
InChIKeyXAADOANIBFQADY-UHFFFAOYSA-N
MW384.30 g/mol
LogP3.87
Rot. Bonds4

About N-(4-bromophenyl)-1-cyclopentyl-3-methylpyrazole-4-sulfonamide

N-(4-bromophenyl)-1-cyclopentyl-3-methylpyrazole-4-sulfonamide (PubChem CID 42282754) has the molecular formula C15H18BrN3O2S and a molecular weight of 384.30 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-cyclopentyl-3-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-cyclopentyl-3-methylpyrazole-4-sulfonamide
PubChem CID42282754
Molecular FormulaC15H18BrN3O2S
Molecular Weight384.30 g/mol
Exact Mass383.03
IUPAC NameN-(4-bromophenyl)-1-cyclopentyl-3-methylpyrazole-4-sulfonamide
SMILESCc1nn(C2CCCC2)cc1S(=O)(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H18BrN3O2S/c1-11-15(10-19(17-11)14-4-2-3-5-14)22(20,21)18-13-8-6-12(16)7-9-13/h6-10,14,18H,2-5H2,1H3
InChIKeyXAADOANIBFQADY-UHFFFAOYSA-N
XLogP3.87
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.30
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-3-tert-butyl-1-cyclopentylpyrazole-4-sulfonamide
CID 42284178
N-(4-bromo-2-methylphenyl)-1-cyclopentyl-3-methylpyrazole-4-sulfonamide
CID 42282799
N-[4-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]sulfonylacetamide
CID 42282842
ethyl 4-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]benzoate
CID 42282768
N-[3-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
CID 42282836
N-(4-bromophenyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282469
3-tert-butyl-1-cyclopentyl-N-(4-hydroxyphenyl)pyrazole-4-sulfonamide
CID 42284183
1-cyclopentyl-N-[2-(diethylamino)ethyl]-3-methylpyrazole-4-sulfonamide
CID 42282672
N-(4-bromo-2-methylphenyl)-1-cyclopentyl-3-phenylpyrazole-4-sulfonamide
CID 42285003
N-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-methylpyrazole-4-sulfonamide
CID 42282708
3-tert-butyl-1-cyclopentyl-N-(3-fluoro-4-methylphenyl)pyrazole-4-sulfonamide
CID 42284222
3-tert-butyl-1-cyclopentyl-N-(4-ethoxyphenyl)pyrazole-4-sulfonamide
CID 42284188

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-cyclopentyl-3-methylpyrazole-4-sulfonamide?
The IUPAC name of N-(4-bromophenyl)-1-cyclopentyl-3-methylpyrazole-4-sulfonamide (CID 42282754) is N-(4-bromophenyl)-1-cyclopentyl-3-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-bromophenyl)-1-cyclopentyl-3-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-(4-bromophenyl)-1-cyclopentyl-3-methylpyrazole-4-sulfonamide is Cc1nn(C2CCCC2)cc1S(=O)(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-1-cyclopentyl-3-methylpyrazole-4-sulfonamide?
The InChIKey is XAADOANIBFQADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2S/c1-11-15(10-19(17-11)14-4-2-3-5-14)22(20,21)18-13-8-6-12(16)7-9-13/h6-10,14,18H,2-5H2,1H3.
What are the key properties of N-(4-bromophenyl)-1-cyclopentyl-3-methylpyrazole-4-sulfonamide?
N-(4-bromophenyl)-1-cyclopentyl-3-methylpyrazole-4-sulfonamide has a molecular weight of 384.30 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-cyclopentyl-3-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 42282754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).