N-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methoxy-N-methylbenzenesulfonamide

C17H23N3O3S — CID 71916836

IUPACN-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)Cc2ccn(C3CCCC3)n2)cc1
InChIInChI=1S/C17H23N3O3S/c1-19(24(21,22)17-9-7-16(23-2)8-10-17)13-14-11-12-20(18-14)15-5-3-4-6-15/h7-12,15H,3-6,13H2,1-2H3
InChIKeyPTGNFOBSUFRPSN-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.83
Rot. Bonds6

About N-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methoxy-N-methylbenzenesulfonamide

N-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methoxy-N-methylbenzenesulfonamide (PubChem CID 71916836) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methoxy-N-methylbenzenesulfonamide
PubChem CID71916836
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)Cc2ccn(C3CCCC3)n2)cc1
InChIInChI=1S/C17H23N3O3S/c1-19(24(21,22)17-9-7-16(23-2)8-10-17)13-14-11-12-20(18-14)15-5-3-4-6-15/h7-12,15H,3-6,13H2,1-2H3
InChIKeyPTGNFOBSUFRPSN-UHFFFAOYSA-N
XLogP2.83
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methoxy-N-methylbenzenesulfonamide (CID 71916836) is N-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for N-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methoxy-N-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)N(C)Cc2ccn(C3CCCC3)n2)cc1.
What is the InChIKey of N-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methoxy-N-methylbenzenesulfonamide?
The InChIKey is PTGNFOBSUFRPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-19(24(21,22)17-9-7-16(23-2)8-10-17)13-14-11-12-20(18-14)15-5-3-4-6-15/h7-12,15H,3-6,13H2,1-2H3.
What are the key properties of N-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methoxy-N-methylbenzenesulfonamide?
N-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methoxy-N-methylbenzenesulfonamide has a molecular weight of 349.46 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 71916836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).