N-cyclopentyl-1-phenylpyrazole-4-sulfonamide

C14H17N3O2S — CID 47439844

IUPACN-cyclopentyl-1-phenylpyrazole-4-sulfonamide
SMILESO=S(=O)(NC1CCCC1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C14H17N3O2S/c18-20(19,16-12-6-4-5-7-12)14-10-15-17(11-14)13-8-2-1-3-9-13/h1-3,8-12,16H,4-7H2
InChIKeyXBQRDSSNNUKZQN-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.09
Rot. Bonds4

About N-cyclopentyl-1-phenylpyrazole-4-sulfonamide

N-cyclopentyl-1-phenylpyrazole-4-sulfonamide (PubChem CID 47439844) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-cyclopentyl-1-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-1-phenylpyrazole-4-sulfonamide
PubChem CID47439844
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-cyclopentyl-1-phenylpyrazole-4-sulfonamide
SMILESO=S(=O)(NC1CCCC1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C14H17N3O2S/c18-20(19,16-12-6-4-5-7-12)14-10-15-17(11-14)13-8-2-1-3-9-13/h1-3,8-12,16H,4-7H2
InChIKeyXBQRDSSNNUKZQN-UHFFFAOYSA-N
XLogP2.09
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-phenylpyrazole-4-sulfonamide?
The IUPAC name of N-cyclopentyl-1-phenylpyrazole-4-sulfonamide (CID 47439844) is N-cyclopentyl-1-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for N-cyclopentyl-1-phenylpyrazole-4-sulfonamide?
The canonical SMILES for N-cyclopentyl-1-phenylpyrazole-4-sulfonamide is O=S(=O)(NC1CCCC1)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-cyclopentyl-1-phenylpyrazole-4-sulfonamide?
The InChIKey is XBQRDSSNNUKZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c18-20(19,16-12-6-4-5-7-12)14-10-15-17(11-14)13-8-2-1-3-9-13/h1-3,8-12,16H,4-7H2.
What are the key properties of N-cyclopentyl-1-phenylpyrazole-4-sulfonamide?
N-cyclopentyl-1-phenylpyrazole-4-sulfonamide has a molecular weight of 291.38 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 47439844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).