N-cyclopentyl-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylbenzenesulfonamide

C17H23N3O2S — CID 155561853

IUPACN-cyclopentyl-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylbenzenesulfonamide
SMILESCc1ccc(-c2c(C)n[nH]c2C)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C17H23N3O2S/c1-11-8-9-14(17-12(2)18-19-13(17)3)10-16(11)23(21,22)20-15-6-4-5-7-15/h8-10,15,20H,4-7H2,1-3H3,(H,18,19)
InChIKeyJEYAYZWJEAXQQI-UHFFFAOYSA-N
MW333.46 g/mol
LogP3.22
Rot. Bonds4

About N-cyclopentyl-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylbenzenesulfonamide

N-cyclopentyl-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylbenzenesulfonamide (PubChem CID 155561853) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-cyclopentyl-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylbenzenesulfonamide
PubChem CID155561853
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC NameN-cyclopentyl-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylbenzenesulfonamide
SMILESCc1ccc(-c2c(C)n[nH]c2C)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C17H23N3O2S/c1-11-8-9-14(17-12(2)18-19-13(17)3)10-16(11)23(21,22)20-15-6-4-5-7-15/h8-10,15,20H,4-7H2,1-3H3,(H,18,19)
InChIKeyJEYAYZWJEAXQQI-UHFFFAOYSA-N
XLogP3.22
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylbenzenesulfonamide?
The IUPAC name of N-cyclopentyl-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylbenzenesulfonamide (CID 155561853) is N-cyclopentyl-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylbenzenesulfonamide.
What is the SMILES notation for N-cyclopentyl-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylbenzenesulfonamide?
The canonical SMILES for N-cyclopentyl-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylbenzenesulfonamide is Cc1ccc(-c2c(C)n[nH]c2C)cc1S(=O)(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylbenzenesulfonamide?
The InChIKey is JEYAYZWJEAXQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-11-8-9-14(17-12(2)18-19-13(17)3)10-16(11)23(21,22)20-15-6-4-5-7-15/h8-10,15,20H,4-7H2,1-3H3,(H,18,19).
What are the key properties of N-cyclopentyl-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylbenzenesulfonamide?
N-cyclopentyl-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylbenzenesulfonamide has a molecular weight of 333.46 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 155561853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).