3-[3-amino-1-(4-chlorophenyl)sulfonylpyrazol-4-yl]benzonitrile

C16H11ClN4O2S — CID 1259020

IUPAC3-[3-amino-1-(4-chlorophenyl)sulfonylpyrazol-4-yl]benzonitrile
SMILESN#Cc1cccc(-c2cn(S(=O)(=O)c3ccc(Cl)cc3)nc2N)c1
InChIInChI=1S/C16H11ClN4O2S/c17-13-4-6-14(7-5-13)24(22,23)21-10-15(16(19)20-21)12-3-1-2-11(8-12)9-18/h1-8,10H,(H2,19,20)
InChIKeyBDNFTYIAYLWGGU-UHFFFAOYSA-N
MW358.81 g/mol
LogP2.89
Rot. Bonds3

About 3-[3-amino-1-(4-chlorophenyl)sulfonylpyrazol-4-yl]benzonitrile

3-[3-amino-1-(4-chlorophenyl)sulfonylpyrazol-4-yl]benzonitrile (PubChem CID 1259020) has the molecular formula C16H11ClN4O2S and a molecular weight of 358.81 g/mol. Its IUPAC name is 3-[3-amino-1-(4-chlorophenyl)sulfonylpyrazol-4-yl]benzonitrile.

Molecular Properties

Compound Name3-[3-amino-1-(4-chlorophenyl)sulfonylpyrazol-4-yl]benzonitrile
PubChem CID1259020
Molecular FormulaC16H11ClN4O2S
Molecular Weight358.81 g/mol
Exact Mass358.03
IUPAC Name3-[3-amino-1-(4-chlorophenyl)sulfonylpyrazol-4-yl]benzonitrile
SMILESN#Cc1cccc(-c2cn(S(=O)(=O)c3ccc(Cl)cc3)nc2N)c1
InChIInChI=1S/C16H11ClN4O2S/c17-13-4-6-14(7-5-13)24(22,23)21-10-15(16(19)20-21)12-3-1-2-11(8-12)9-18/h1-8,10H,(H2,19,20)
InChIKeyBDNFTYIAYLWGGU-UHFFFAOYSA-N
XLogP2.89
TPSA101.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.81
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-Methylphenyl)sulfonyl-4-phenyl-3-pyrazolamine
CID 935379
1-(Benzenesulfonyl)-4-(4-fluoro-3-methylphenyl)pyrazol-3-amine
CID 935662
4-(4-Chlorophenyl)-1-(3-fluoro-4-methylphenyl)sulfonylpyrazol-3-amine
CID 1265059
1-(4-Chlorophenyl)sulfonyl-4-(3-fluoro-4-methylphenyl)pyrazol-3-amine
CID 1299589
1-(4-Chlorophenyl)sulfonyl-4-(4-fluorophenyl)pyrazol-3-amine
CID 1300177
4-(4-Chlorophenyl)-1-(2,3,4,5,6-pentafluorophenyl)sulfonylpyrazol-3-amine
CID 2234371
1-(3-Chloro-4-fluorophenyl)sulfonyl-4-phenylpyrazol-3-amine
CID 2989916
1-(Benzenesulfonyl)-4-(4-chlorophenyl)pyrazol-3-amine
CID 1243646
2-chloro-4-fluoro-N-(4-phenyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 25044864
1-(4-Chlorophenyl)sulfonyl-4-(4-methylphenyl)pyrazol-3-amine
CID 934499
4-(4-Chlorophenyl)-1-(4-chlorophenyl)sulfonylpyrazol-3-amine
CID 2236904
N-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-3-methylbenzenesulfonamide
CID 71845178

Frequently Asked Questions

What is the IUPAC name of 3-[3-amino-1-(4-chlorophenyl)sulfonylpyrazol-4-yl]benzonitrile?
The IUPAC name of 3-[3-amino-1-(4-chlorophenyl)sulfonylpyrazol-4-yl]benzonitrile (CID 1259020) is 3-[3-amino-1-(4-chlorophenyl)sulfonylpyrazol-4-yl]benzonitrile.
What is the SMILES notation for 3-[3-amino-1-(4-chlorophenyl)sulfonylpyrazol-4-yl]benzonitrile?
The canonical SMILES for 3-[3-amino-1-(4-chlorophenyl)sulfonylpyrazol-4-yl]benzonitrile is N#Cc1cccc(-c2cn(S(=O)(=O)c3ccc(Cl)cc3)nc2N)c1.
What is the InChIKey of 3-[3-amino-1-(4-chlorophenyl)sulfonylpyrazol-4-yl]benzonitrile?
The InChIKey is BDNFTYIAYLWGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4O2S/c17-13-4-6-14(7-5-13)24(22,23)21-10-15(16(19)20-21)12-3-1-2-11(8-12)9-18/h1-8,10H,(H2,19,20).
What are the key properties of 3-[3-amino-1-(4-chlorophenyl)sulfonylpyrazol-4-yl]benzonitrile?
3-[3-amino-1-(4-chlorophenyl)sulfonylpyrazol-4-yl]benzonitrile has a molecular weight of 358.81 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-amino-1-(4-chlorophenyl)sulfonylpyrazol-4-yl]benzonitrile is sourced from PubChem (CID 1259020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).