1-benzylsulfonyl-5-phenylpyrazol-3-amine

C16H15N3O2S — CID 110868223

IUPAC1-benzylsulfonyl-5-phenylpyrazol-3-amine
SMILESNc1cc(-c2ccccc2)n(S(=O)(=O)Cc2ccccc2)n1
InChIInChI=1S/C16H15N3O2S/c17-16-11-15(14-9-5-2-6-10-14)19(18-16)22(20,21)12-13-7-3-1-4-8-13/h1-11H,12H2,(H2,17,18)
InChIKeyKFTSEZRZGNANJZ-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.51
Rot. Bonds4

About 1-benzylsulfonyl-5-phenylpyrazol-3-amine

1-benzylsulfonyl-5-phenylpyrazol-3-amine (PubChem CID 110868223) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 1-benzylsulfonyl-5-phenylpyrazol-3-amine.

Molecular Properties

Compound Name1-benzylsulfonyl-5-phenylpyrazol-3-amine
PubChem CID110868223
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name1-benzylsulfonyl-5-phenylpyrazol-3-amine
SMILESNc1cc(-c2ccccc2)n(S(=O)(=O)Cc2ccccc2)n1
InChIInChI=1S/C16H15N3O2S/c17-16-11-15(14-9-5-2-6-10-14)19(18-16)22(20,21)12-13-7-3-1-4-8-13/h1-11H,12H2,(H2,17,18)
InChIKeyKFTSEZRZGNANJZ-UHFFFAOYSA-N
XLogP2.51
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-benzylsulfonyl-5-phenylpyrazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzylsulfonyl-3-(4-bromophenyl)pyrazol-5-amine
CID 126457155
1-(3-amino-5-phenylpyrazol-1-yl)ethanone
CID 110868177
1-(3-amino-5-phenylpyrazol-1-yl)butan-1-one
CID 110868180
methyl 3-amino-5-phenylpyrazole-1-carboxylate
CID 110868199
1-benzylsulfonyl-4-bromopyrazole
CID 22200735
1-benzylsulfonyl-2-iodoindole
CID 146689945
4-phenylpyrimido[1,2-a]benzimidazol-2-amine
CID 2825239
3-methyl-4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 22315633
benzylsulfonylsulfanylsulfonylmethylbenzene
CID 68588123
CID 68896583
CID 68896583
azane;phenylmethanesulfonamide
CID 67842568
1-benzyl-3-(1-benzyl-5-phenylpyrazol-3-yl)-5-phenylpyrazole
CID 84820888

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-5-phenylpyrazol-3-amine?
The IUPAC name of 1-benzylsulfonyl-5-phenylpyrazol-3-amine (CID 110868223) is 1-benzylsulfonyl-5-phenylpyrazol-3-amine.
What is the SMILES notation for 1-benzylsulfonyl-5-phenylpyrazol-3-amine?
The canonical SMILES for 1-benzylsulfonyl-5-phenylpyrazol-3-amine is Nc1cc(-c2ccccc2)n(S(=O)(=O)Cc2ccccc2)n1.
What is the InChIKey of 1-benzylsulfonyl-5-phenylpyrazol-3-amine?
The InChIKey is KFTSEZRZGNANJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c17-16-11-15(14-9-5-2-6-10-14)19(18-16)22(20,21)12-13-7-3-1-4-8-13/h1-11H,12H2,(H2,17,18).
What are the key properties of 1-benzylsulfonyl-5-phenylpyrazol-3-amine?
1-benzylsulfonyl-5-phenylpyrazol-3-amine has a molecular weight of 313.38 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-5-phenylpyrazol-3-amine is sourced from PubChem (CID 110868223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).