3-(1-benzylpyrazol-4-yl)-N-phenylbenzenesulfonamide

C22H19N3O2S — CID 44607342

IUPAC3-(1-benzylpyrazol-4-yl)-N-phenylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1)c1cccc(-c2cnn(Cc3ccccc3)c2)c1
InChIInChI=1S/C22H19N3O2S/c26-28(27,24-21-11-5-2-6-12-21)22-13-7-10-19(14-22)20-15-23-25(17-20)16-18-8-3-1-4-9-18/h1-15,17,24H,16H2
InChIKeyRNUQVPBFUHGRKK-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.40
Rot. Bonds6

About 3-(1-benzylpyrazol-4-yl)-N-phenylbenzenesulfonamide

3-(1-benzylpyrazol-4-yl)-N-phenylbenzenesulfonamide (PubChem CID 44607342) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is 3-(1-benzylpyrazol-4-yl)-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name3-(1-benzylpyrazol-4-yl)-N-phenylbenzenesulfonamide
PubChem CID44607342
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC Name3-(1-benzylpyrazol-4-yl)-N-phenylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1)c1cccc(-c2cnn(Cc3ccccc3)c2)c1
InChIInChI=1S/C22H19N3O2S/c26-28(27,24-21-11-5-2-6-12-21)22-13-7-10-19(14-22)20-15-23-25(17-20)16-18-8-3-1-4-9-18/h1-15,17,24H,16H2
InChIKeyRNUQVPBFUHGRKK-UHFFFAOYSA-N
XLogP4.40
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(Pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 127025293
1-ethyl-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 1510182
1-ethyl-N-(5-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 1510184
3-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
CID 166490570
3-[4-[5-(2-methyl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide
CID 166490574
3-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
CID 166490723
3-[4-[5-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide
CID 166490782
N-benzyl-4-(1H-pyrazol-1-yl)benzenesulfonamide
CID 20914812
N-[[3-(1-amino-3-phenylpropan-2-yl)phenyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 56836670
N-[[3-[1-(dimethylamino)-3-phenylpropan-2-yl]phenyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 56836751
Pyrazolyl benzenesulfonamide derivative, 9a
CID 25227547
N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-methylbenzenesulfonamide
CID 5497333

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylpyrazol-4-yl)-N-phenylbenzenesulfonamide?
The IUPAC name of 3-(1-benzylpyrazol-4-yl)-N-phenylbenzenesulfonamide (CID 44607342) is 3-(1-benzylpyrazol-4-yl)-N-phenylbenzenesulfonamide.
What is the SMILES notation for 3-(1-benzylpyrazol-4-yl)-N-phenylbenzenesulfonamide?
The canonical SMILES for 3-(1-benzylpyrazol-4-yl)-N-phenylbenzenesulfonamide is O=S(=O)(Nc1ccccc1)c1cccc(-c2cnn(Cc3ccccc3)c2)c1.
What is the InChIKey of 3-(1-benzylpyrazol-4-yl)-N-phenylbenzenesulfonamide?
The InChIKey is RNUQVPBFUHGRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c26-28(27,24-21-11-5-2-6-12-21)22-13-7-10-19(14-22)20-15-23-25(17-20)16-18-8-3-1-4-9-18/h1-15,17,24H,16H2.
What are the key properties of 3-(1-benzylpyrazol-4-yl)-N-phenylbenzenesulfonamide?
3-(1-benzylpyrazol-4-yl)-N-phenylbenzenesulfonamide has a molecular weight of 389.48 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylpyrazol-4-yl)-N-phenylbenzenesulfonamide is sourced from PubChem (CID 44607342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).