N-(4-bromo-2-methylphenyl)-1-cyclopentyl-3-methylpyrazole-4-sulfonamide

C16H20BrN3O2S — CID 42282799

IUPACN-(4-bromo-2-methylphenyl)-1-cyclopentyl-3-methylpyrazole-4-sulfonamide
SMILESCc1cc(Br)ccc1NS(=O)(=O)c1cn(C2CCCC2)nc1C
InChIInChI=1S/C16H20BrN3O2S/c1-11-9-13(17)7-8-15(11)19-23(21,22)16-10-20(18-12(16)2)14-5-3-4-6-14/h7-10,14,19H,3-6H2,1-2H3
InChIKeyNIPLNSLAJAHXAX-UHFFFAOYSA-N
MW398.33 g/mol
LogP4.18
Rot. Bonds4

About N-(4-bromo-2-methylphenyl)-1-cyclopentyl-3-methylpyrazole-4-sulfonamide

N-(4-bromo-2-methylphenyl)-1-cyclopentyl-3-methylpyrazole-4-sulfonamide (PubChem CID 42282799) has the molecular formula C16H20BrN3O2S and a molecular weight of 398.33 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-1-cyclopentyl-3-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-1-cyclopentyl-3-methylpyrazole-4-sulfonamide
PubChem CID42282799
Molecular FormulaC16H20BrN3O2S
Molecular Weight398.33 g/mol
Exact Mass397.05
IUPAC NameN-(4-bromo-2-methylphenyl)-1-cyclopentyl-3-methylpyrazole-4-sulfonamide
SMILESCc1cc(Br)ccc1NS(=O)(=O)c1cn(C2CCCC2)nc1C
InChIInChI=1S/C16H20BrN3O2S/c1-11-9-13(17)7-8-15(11)19-23(21,22)16-10-20(18-12(16)2)14-5-3-4-6-14/h7-10,14,19H,3-6H2,1-2H3
InChIKeyNIPLNSLAJAHXAX-UHFFFAOYSA-N
XLogP4.18
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.33
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-1-cyclopentyl-3-methylpyrazole-4-sulfonamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-1-cyclopentyl-3-methylpyrazole-4-sulfonamide (CID 42282799) is N-(4-bromo-2-methylphenyl)-1-cyclopentyl-3-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-1-cyclopentyl-3-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-1-cyclopentyl-3-methylpyrazole-4-sulfonamide is Cc1cc(Br)ccc1NS(=O)(=O)c1cn(C2CCCC2)nc1C.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-1-cyclopentyl-3-methylpyrazole-4-sulfonamide?
The InChIKey is NIPLNSLAJAHXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O2S/c1-11-9-13(17)7-8-15(11)19-23(21,22)16-10-20(18-12(16)2)14-5-3-4-6-14/h7-10,14,19H,3-6H2,1-2H3.
What are the key properties of N-(4-bromo-2-methylphenyl)-1-cyclopentyl-3-methylpyrazole-4-sulfonamide?
N-(4-bromo-2-methylphenyl)-1-cyclopentyl-3-methylpyrazole-4-sulfonamide has a molecular weight of 398.33 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-1-cyclopentyl-3-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 42282799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).