4-(methylamino)-N-(2-phenylpyrazol-3-yl)benzenesulfonamide

C16H16N4O2S — CID 162650254

IUPAC4-(methylamino)-N-(2-phenylpyrazol-3-yl)benzenesulfonamide
SMILESCNc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1
InChIInChI=1S/C16H16N4O2S/c1-17-13-7-9-15(10-8-13)23(21,22)19-16-11-12-18-20(16)14-5-3-2-4-6-14/h2-12,17,19H,1H3
InChIKeyWIBLZWSBNCUDIO-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.71
Rot. Bonds5

About 4-(methylamino)-N-(2-phenylpyrazol-3-yl)benzenesulfonamide

4-(methylamino)-N-(2-phenylpyrazol-3-yl)benzenesulfonamide (PubChem CID 162650254) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 4-(methylamino)-N-(2-phenylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(methylamino)-N-(2-phenylpyrazol-3-yl)benzenesulfonamide
PubChem CID162650254
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name4-(methylamino)-N-(2-phenylpyrazol-3-yl)benzenesulfonamide
SMILESCNc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1
InChIInChI=1S/C16H16N4O2S/c1-17-13-7-9-15(10-8-13)23(21,22)19-16-11-12-18-20(16)14-5-3-2-4-6-14/h2-12,17,19H,1H3
InChIKeyWIBLZWSBNCUDIO-UHFFFAOYSA-N
XLogP2.71
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(2-phenylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-(methylamino)-N-(2-phenylpyrazol-3-yl)benzenesulfonamide (CID 162650254) is 4-(methylamino)-N-(2-phenylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-(methylamino)-N-(2-phenylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-(methylamino)-N-(2-phenylpyrazol-3-yl)benzenesulfonamide is CNc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1.
What is the InChIKey of 4-(methylamino)-N-(2-phenylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is WIBLZWSBNCUDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-17-13-7-9-15(10-8-13)23(21,22)19-16-11-12-18-20(16)14-5-3-2-4-6-14/h2-12,17,19H,1H3.
What are the key properties of 4-(methylamino)-N-(2-phenylpyrazol-3-yl)benzenesulfonamide?
4-(methylamino)-N-(2-phenylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 328.40 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(2-phenylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 162650254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).