3-cyano-4-ethoxy-N-(4-pyrazol-1-ylphenyl)benzenesulfonamide

C18H16N4O3S — CID 171134139

IUPAC3-cyano-4-ethoxy-N-(4-pyrazol-1-ylphenyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(-n3cccn3)cc2)cc1C#N
InChIInChI=1S/C18H16N4O3S/c1-2-25-18-9-8-17(12-14(18)13-19)26(23,24)21-15-4-6-16(7-5-15)22-11-3-10-20-22/h3-12,21H,2H2,1H3
InChIKeyASOPDROBTUYPOJ-UHFFFAOYSA-N
MW368.42 g/mol
LogP2.94
Rot. Bonds6

About 3-cyano-4-ethoxy-N-(4-pyrazol-1-ylphenyl)benzenesulfonamide

3-cyano-4-ethoxy-N-(4-pyrazol-1-ylphenyl)benzenesulfonamide (PubChem CID 171134139) has the molecular formula C18H16N4O3S and a molecular weight of 368.42 g/mol. Its IUPAC name is 3-cyano-4-ethoxy-N-(4-pyrazol-1-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-4-ethoxy-N-(4-pyrazol-1-ylphenyl)benzenesulfonamide
PubChem CID171134139
Molecular FormulaC18H16N4O3S
Molecular Weight368.42 g/mol
Exact Mass368.09
IUPAC Name3-cyano-4-ethoxy-N-(4-pyrazol-1-ylphenyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(-n3cccn3)cc2)cc1C#N
InChIInChI=1S/C18H16N4O3S/c1-2-25-18-9-8-17(12-14(18)13-19)26(23,24)21-15-4-6-16(7-5-15)22-11-3-10-20-22/h3-12,21H,2H2,1H3
InChIKeyASOPDROBTUYPOJ-UHFFFAOYSA-N
XLogP2.94
TPSA97.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyano-N-(4-fluorophenyl)-4-propoxybenzenesulfonamide
CID 171134204
3-cyano-4-ethoxy-N-propylbenzenesulfonamide
CID 171134169
3-chloro-N-(4-pyrazol-1-ylphenyl)benzenesulfonamide
CID 31913171
4-pyrazol-1-yl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 122290772
N-(4-pyrazol-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide
CID 110731351
3-cyano-4-ethoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 171134172
N-(2-methoxypyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide
CID 122301720
1-propan-2-yl-N-(4-pyrazol-1-ylphenyl)pyrazole-4-sulfonamide
CID 71688270
N-(4-bromo-3-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide
CID 20914800
3,4-diethoxy-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 9056028
3,4-dimethoxy-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
CID 36618671
3-cyano-4-ethoxybenzenesulfonyl chloride;2-ethoxybenzonitrile
CID 158306651

Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-ethoxy-N-(4-pyrazol-1-ylphenyl)benzenesulfonamide?
The IUPAC name of 3-cyano-4-ethoxy-N-(4-pyrazol-1-ylphenyl)benzenesulfonamide (CID 171134139) is 3-cyano-4-ethoxy-N-(4-pyrazol-1-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-cyano-4-ethoxy-N-(4-pyrazol-1-ylphenyl)benzenesulfonamide?
The canonical SMILES for 3-cyano-4-ethoxy-N-(4-pyrazol-1-ylphenyl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccc(-n3cccn3)cc2)cc1C#N.
What is the InChIKey of 3-cyano-4-ethoxy-N-(4-pyrazol-1-ylphenyl)benzenesulfonamide?
The InChIKey is ASOPDROBTUYPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S/c1-2-25-18-9-8-17(12-14(18)13-19)26(23,24)21-15-4-6-16(7-5-15)22-11-3-10-20-22/h3-12,21H,2H2,1H3.
What are the key properties of 3-cyano-4-ethoxy-N-(4-pyrazol-1-ylphenyl)benzenesulfonamide?
3-cyano-4-ethoxy-N-(4-pyrazol-1-ylphenyl)benzenesulfonamide has a molecular weight of 368.42 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-4-ethoxy-N-(4-pyrazol-1-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 171134139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).