N-[2-(3-phenylpyrazol-1-yl)ethyl]benzenesulfonamide

C17H17N3O2S — CID 155536167

IUPACN-[2-(3-phenylpyrazol-1-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCn1ccc(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C17H17N3O2S/c21-23(22,16-9-5-2-6-10-16)18-12-14-20-13-11-17(19-20)15-7-3-1-4-8-15/h1-11,13,18H,12,14H2
InChIKeyPJKTZODMPLTPFF-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.53
Rot. Bonds6

About N-[2-(3-phenylpyrazol-1-yl)ethyl]benzenesulfonamide

N-[2-(3-phenylpyrazol-1-yl)ethyl]benzenesulfonamide (PubChem CID 155536167) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-[2-(3-phenylpyrazol-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3-phenylpyrazol-1-yl)ethyl]benzenesulfonamide
PubChem CID155536167
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-[2-(3-phenylpyrazol-1-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCn1ccc(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C17H17N3O2S/c21-23(22,16-9-5-2-6-10-16)18-12-14-20-13-11-17(19-20)15-7-3-1-4-8-15/h1-11,13,18H,12,14H2
InChIKeyPJKTZODMPLTPFF-UHFFFAOYSA-N
XLogP2.53
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(Pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 127025293
1-(Benzenesulfonyl)-4-piperazin-1-ylindazole
CID 9840981
4-(3-(4-methylphenyl)-4-cyano-1H-pyrazol-1-yl)benzenesulfonamide
CID 25227548
N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylbenzenesulfonamide
CID 6499783
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-3,4-dimethylbenzenesulfonamide
CID 6499785
4-(4-phenyl-1H-1,2,3-triazol-1-yl)benzenesulfonamide
CID 44577800
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
N-[(E)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-4-methylbenzenesulfonamide
CID 6874488
4-[[(4aS)-1-(4-fluorophenyl)-4a-methyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-6-yl]sulfonyl]aniline
CID 11495854
N-[[(4aS)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 44454500
N-Methyl-1-{1-[(4-methylphenyl)sulfonyl]-5-phenyl-1H-pyrrol-3-yl}methanamine
CID 66561648

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-phenylpyrazol-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of N-[2-(3-phenylpyrazol-1-yl)ethyl]benzenesulfonamide (CID 155536167) is N-[2-(3-phenylpyrazol-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(3-phenylpyrazol-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-(3-phenylpyrazol-1-yl)ethyl]benzenesulfonamide is O=S(=O)(NCCn1ccc(-c2ccccc2)n1)c1ccccc1.
What is the InChIKey of N-[2-(3-phenylpyrazol-1-yl)ethyl]benzenesulfonamide?
The InChIKey is PJKTZODMPLTPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c21-23(22,16-9-5-2-6-10-16)18-12-14-20-13-11-17(19-20)15-7-3-1-4-8-15/h1-11,13,18H,12,14H2.
What are the key properties of N-[2-(3-phenylpyrazol-1-yl)ethyl]benzenesulfonamide?
N-[2-(3-phenylpyrazol-1-yl)ethyl]benzenesulfonamide has a molecular weight of 327.41 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-phenylpyrazol-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 155536167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).