N-[(4-cyanophenyl)methyl]-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide

C20H20N4O2S — CID 4825978

IUPACN-[(4-cyanophenyl)methyl]-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide
SMILESCC(C)n1nccc1N(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H20N4O2S/c1-16(2)24-20(12-13-22-24)23(15-18-10-8-17(14-21)9-11-18)27(25,26)19-6-4-3-5-7-19/h3-13,16H,15H2,1-2H3
InChIKeyUVERTHXHNQWOMX-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.73
Rot. Bonds6

About N-[(4-cyanophenyl)methyl]-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide

N-[(4-cyanophenyl)methyl]-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide (PubChem CID 4825978) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide
PubChem CID4825978
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC NameN-[(4-cyanophenyl)methyl]-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide
SMILESCC(C)n1nccc1N(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H20N4O2S/c1-16(2)24-20(12-13-22-24)23(15-18-10-8-17(14-21)9-11-18)27(25,26)19-6-4-3-5-7-19/h3-13,16H,15H2,1-2H3
InChIKeyUVERTHXHNQWOMX-UHFFFAOYSA-N
XLogP3.73
TPSA78.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide (CID 4825978) is N-[(4-cyanophenyl)methyl]-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide is CC(C)n1nccc1N(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is UVERTHXHNQWOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-16(2)24-20(12-13-22-24)23(15-18-10-8-17(14-21)9-11-18)27(25,26)19-6-4-3-5-7-19/h3-13,16H,15H2,1-2H3.
What are the key properties of N-[(4-cyanophenyl)methyl]-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide?
N-[(4-cyanophenyl)methyl]-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 380.47 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 4825978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).