1,3-dimethyl-N-(4-phenylbutan-2-yl)pyrazole-4-sulfonamide

C15H21N3O2S — CID 19681684

IUPAC1,3-dimethyl-N-(4-phenylbutan-2-yl)pyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)NC(C)CCc1ccccc1
InChIInChI=1S/C15H21N3O2S/c1-12(9-10-14-7-5-4-6-8-14)17-21(19,20)15-11-18(3)16-13(15)2/h4-8,11-12,17H,9-10H2,1-3H3
InChIKeyZNJHHFSCYJFHQX-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.03
Rot. Bonds6

About 1,3-dimethyl-N-(4-phenylbutan-2-yl)pyrazole-4-sulfonamide

1,3-dimethyl-N-(4-phenylbutan-2-yl)pyrazole-4-sulfonamide (PubChem CID 19681684) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 1,3-dimethyl-N-(4-phenylbutan-2-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(4-phenylbutan-2-yl)pyrazole-4-sulfonamide
PubChem CID19681684
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name1,3-dimethyl-N-(4-phenylbutan-2-yl)pyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)NC(C)CCc1ccccc1
InChIInChI=1S/C15H21N3O2S/c1-12(9-10-14-7-5-4-6-8-14)17-21(19,20)15-11-18(3)16-13(15)2/h4-8,11-12,17H,9-10H2,1-3H3
InChIKeyZNJHHFSCYJFHQX-UHFFFAOYSA-N
XLogP2.03
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(4-phenylbutan-2-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1,3-dimethyl-N-(4-phenylbutan-2-yl)pyrazole-4-sulfonamide (CID 19681684) is 1,3-dimethyl-N-(4-phenylbutan-2-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-N-(4-phenylbutan-2-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1,3-dimethyl-N-(4-phenylbutan-2-yl)pyrazole-4-sulfonamide is Cc1nn(C)cc1S(=O)(=O)NC(C)CCc1ccccc1.
What is the InChIKey of 1,3-dimethyl-N-(4-phenylbutan-2-yl)pyrazole-4-sulfonamide?
The InChIKey is ZNJHHFSCYJFHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-12(9-10-14-7-5-4-6-8-14)17-21(19,20)15-11-18(3)16-13(15)2/h4-8,11-12,17H,9-10H2,1-3H3.
What are the key properties of 1,3-dimethyl-N-(4-phenylbutan-2-yl)pyrazole-4-sulfonamide?
1,3-dimethyl-N-(4-phenylbutan-2-yl)pyrazole-4-sulfonamide has a molecular weight of 307.42 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(4-phenylbutan-2-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 19681684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).