3-amino-1-phenyl-N-(1H-pyrazol-5-yl)cyclohexa-2,4-diene-1-sulfonamide

C15H16N4O2S — CID 70425629

IUPAC3-amino-1-phenyl-N-(1H-pyrazol-5-yl)cyclohexa-2,4-diene-1-sulfonamide
SMILESNC1=CC(c2ccccc2)(S(=O)(=O)Nc2ccn[nH]2)CC=C1
InChIInChI=1S/C15H16N4O2S/c16-13-7-4-9-15(11-13,12-5-2-1-3-6-12)22(20,21)19-14-8-10-17-18-14/h1-8,10-11H,9,16H2,(H2,17,18,19)
InChIKeyJWHTWOUGJIBHPZ-UHFFFAOYSA-N
MW316.39 g/mol
LogP1.85
Rot. Bonds4

About 3-amino-1-phenyl-N-(1H-pyrazol-5-yl)cyclohexa-2,4-diene-1-sulfonamide

3-amino-1-phenyl-N-(1H-pyrazol-5-yl)cyclohexa-2,4-diene-1-sulfonamide (PubChem CID 70425629) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is 3-amino-1-phenyl-N-(1H-pyrazol-5-yl)cyclohexa-2,4-diene-1-sulfonamide.

Molecular Properties

Compound Name3-amino-1-phenyl-N-(1H-pyrazol-5-yl)cyclohexa-2,4-diene-1-sulfonamide
PubChem CID70425629
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name3-amino-1-phenyl-N-(1H-pyrazol-5-yl)cyclohexa-2,4-diene-1-sulfonamide
SMILESNC1=CC(c2ccccc2)(S(=O)(=O)Nc2ccn[nH]2)CC=C1
InChIInChI=1S/C15H16N4O2S/c16-13-7-4-9-15(11-13,12-5-2-1-3-6-12)22(20,21)19-14-8-10-17-18-14/h1-8,10-11H,9,16H2,(H2,17,18,19)
InChIKeyJWHTWOUGJIBHPZ-UHFFFAOYSA-N
XLogP1.85
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-Pyrazol-5-yl)benzenesulfonamide
CID 21254985
N-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]benzenesulfonamide
CID 67645339
N-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]benzenesulfonamide
CID 67645372
N-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]benzenesulfonamide
CID 67645901
(Benzylidenehydrazino)pyrazole
CID 129709208
5-{2-[Methylsulfonyl(1h-pyrazol-3-yl)methylidene]hydrazin-1-yl}-4-phenyl-1h-pyrazole
CID 171665824
3-fluoro-N-(4-phenyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 25041480
5-amino-N-[2-(4-fluorophenyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 60808924
5-amino-N-[2-(3-fluorophenyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 60808958
5-amino-N-[2-(2-fluorophenyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 60810238
N-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 61394193
4-fluoro-2-methyl-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 61394196

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-phenyl-N-(1H-pyrazol-5-yl)cyclohexa-2,4-diene-1-sulfonamide?
The IUPAC name of 3-amino-1-phenyl-N-(1H-pyrazol-5-yl)cyclohexa-2,4-diene-1-sulfonamide (CID 70425629) is 3-amino-1-phenyl-N-(1H-pyrazol-5-yl)cyclohexa-2,4-diene-1-sulfonamide.
What is the SMILES notation for 3-amino-1-phenyl-N-(1H-pyrazol-5-yl)cyclohexa-2,4-diene-1-sulfonamide?
The canonical SMILES for 3-amino-1-phenyl-N-(1H-pyrazol-5-yl)cyclohexa-2,4-diene-1-sulfonamide is NC1=CC(c2ccccc2)(S(=O)(=O)Nc2ccn[nH]2)CC=C1.
What is the InChIKey of 3-amino-1-phenyl-N-(1H-pyrazol-5-yl)cyclohexa-2,4-diene-1-sulfonamide?
The InChIKey is JWHTWOUGJIBHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c16-13-7-4-9-15(11-13,12-5-2-1-3-6-12)22(20,21)19-14-8-10-17-18-14/h1-8,10-11H,9,16H2,(H2,17,18,19).
What are the key properties of 3-amino-1-phenyl-N-(1H-pyrazol-5-yl)cyclohexa-2,4-diene-1-sulfonamide?
3-amino-1-phenyl-N-(1H-pyrazol-5-yl)cyclohexa-2,4-diene-1-sulfonamide has a molecular weight of 316.39 g/mol, XLogP of 1.85, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-phenyl-N-(1H-pyrazol-5-yl)cyclohexa-2,4-diene-1-sulfonamide is sourced from PubChem (CID 70425629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).