N-[3-(hydroxymethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide

C16H15N3O3S — CID 67662408

IUPACN-[3-(hydroxymethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide
SMILESO=S(=O)(Nn1nc(CO)cc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15N3O3S/c20-12-14-11-16(13-7-3-1-4-8-13)19(17-14)18-23(21,22)15-9-5-2-6-10-15/h1-11,18,20H,12H2
InChIKeyJBCXYZJXZAWQQY-UHFFFAOYSA-N
MW329.38 g/mol
LogP1.97
Rot. Bonds5

About N-[3-(hydroxymethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide

N-[3-(hydroxymethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide (PubChem CID 67662408) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide
PubChem CID67662408
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC NameN-[3-(hydroxymethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide
SMILESO=S(=O)(Nn1nc(CO)cc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15N3O3S/c20-12-14-11-16(13-7-3-1-4-8-13)19(17-14)18-23(21,22)15-9-5-2-6-10-15/h1-11,18,20H,12H2
InChIKeyJBCXYZJXZAWQQY-UHFFFAOYSA-N
XLogP1.97
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 23209774
N-[5-(4-ethylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 23209734
(1-chloro-5-phenylpyrazol-3-yl)methanol
CID 174977463
N-[5-(4-chlorophenyl)-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-1-yl]benzenesulfonamide
CID 23209750
N-[3-(4-chlorophenyl)-5-(4-nitrophenyl)pyrazol-1-yl]benzenesulfonamide
CID 23215722
N-[5-(3-bromophenyl)-3-(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide
CID 67580443
N-[3-(4-chlorophenyl)-5-(3-fluorophenyl)pyrazol-1-yl]benzenesulfonamide
CID 67580493
1-(benzenesulfonamido)-5-(4-chlorophenyl)-N-propan-2-ylpyrazole-3-sulfonamide
CID 67649580
[5-(4-methylsulfonylphenyl)-1-phenylpyrazol-3-yl]methanol
CID 22014688
N-[5-(4-chlorophenyl)-3-(2-methylsulfanylphenyl)pyrazol-1-yl]benzenesulfonamide
CID 23215863
N-[5-(4-chlorophenyl)-3-(4-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide
CID 67580508
[1-(2-methylpropyl)-5-phenylpyrazol-3-yl]methanol
CID 83500409

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide?
The IUPAC name of N-[3-(hydroxymethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide (CID 67662408) is N-[3-(hydroxymethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for N-[3-(hydroxymethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for N-[3-(hydroxymethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide is O=S(=O)(Nn1nc(CO)cc1-c1ccccc1)c1ccccc1.
What is the InChIKey of N-[3-(hydroxymethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide?
The InChIKey is JBCXYZJXZAWQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c20-12-14-11-16(13-7-3-1-4-8-13)19(17-14)18-23(21,22)15-9-5-2-6-10-15/h1-11,18,20H,12H2.
What are the key properties of N-[3-(hydroxymethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide?
N-[3-(hydroxymethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide has a molecular weight of 329.38 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 67662408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).