N-benzyl-3-tert-butyl-1-cyclopentyl-N-methylpyrazole-4-sulfonamide

C20H29N3O2S — CID 42284005

IUPACN-benzyl-3-tert-butyl-1-cyclopentyl-N-methylpyrazole-4-sulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1cn(C2CCCC2)nc1C(C)(C)C
InChIInChI=1S/C20H29N3O2S/c1-20(2,3)19-18(15-23(21-19)17-12-8-9-13-17)26(24,25)22(4)14-16-10-6-5-7-11-16/h5-7,10-11,15,17H,8-9,12-14H2,1-4H3
InChIKeyOSLHMZIRINHKML-UHFFFAOYSA-N
MW375.54 g/mol
LogP4.12
Rot. Bonds5

About N-benzyl-3-tert-butyl-1-cyclopentyl-N-methylpyrazole-4-sulfonamide

N-benzyl-3-tert-butyl-1-cyclopentyl-N-methylpyrazole-4-sulfonamide (PubChem CID 42284005) has the molecular formula C20H29N3O2S and a molecular weight of 375.54 g/mol. Its IUPAC name is N-benzyl-3-tert-butyl-1-cyclopentyl-N-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-benzyl-3-tert-butyl-1-cyclopentyl-N-methylpyrazole-4-sulfonamide
PubChem CID42284005
Molecular FormulaC20H29N3O2S
Molecular Weight375.54 g/mol
Exact Mass375.20
IUPAC NameN-benzyl-3-tert-butyl-1-cyclopentyl-N-methylpyrazole-4-sulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1cn(C2CCCC2)nc1C(C)(C)C
InChIInChI=1S/C20H29N3O2S/c1-20(2,3)19-18(15-23(21-19)17-12-8-9-13-17)26(24,25)22(4)14-16-10-6-5-7-11-16/h5-7,10-11,15,17H,8-9,12-14H2,1-4H3
InChIKeyOSLHMZIRINHKML-UHFFFAOYSA-N
XLogP4.12
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.54
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-tert-butyl-1-cyclopentyl-N-methylpyrazole-4-sulfonamide?
The IUPAC name of N-benzyl-3-tert-butyl-1-cyclopentyl-N-methylpyrazole-4-sulfonamide (CID 42284005) is N-benzyl-3-tert-butyl-1-cyclopentyl-N-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-benzyl-3-tert-butyl-1-cyclopentyl-N-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-benzyl-3-tert-butyl-1-cyclopentyl-N-methylpyrazole-4-sulfonamide is CN(Cc1ccccc1)S(=O)(=O)c1cn(C2CCCC2)nc1C(C)(C)C.
What is the InChIKey of N-benzyl-3-tert-butyl-1-cyclopentyl-N-methylpyrazole-4-sulfonamide?
The InChIKey is OSLHMZIRINHKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2S/c1-20(2,3)19-18(15-23(21-19)17-12-8-9-13-17)26(24,25)22(4)14-16-10-6-5-7-11-16/h5-7,10-11,15,17H,8-9,12-14H2,1-4H3.
What are the key properties of N-benzyl-3-tert-butyl-1-cyclopentyl-N-methylpyrazole-4-sulfonamide?
N-benzyl-3-tert-butyl-1-cyclopentyl-N-methylpyrazole-4-sulfonamide has a molecular weight of 375.54 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-tert-butyl-1-cyclopentyl-N-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 42284005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).