1-(4-chlorophenyl)sulfonyl-4-(4-methylphenyl)pyrazol-3-amine

C16H14ClN3O2S — CID 934499

IUPAC1-(4-chlorophenyl)sulfonyl-4-(4-methylphenyl)pyrazol-3-amine
SMILESCc1ccc(-c2cn(S(=O)(=O)c3ccc(Cl)cc3)nc2N)cc1
InChIInChI=1S/C16H14ClN3O2S/c1-11-2-4-12(5-3-11)15-10-20(19-16(15)18)23(21,22)14-8-6-13(17)7-9-14/h2-10H,1H3,(H2,18,19)
InChIKeyLSFXZMBILAAPCF-UHFFFAOYSA-N
MW347.83 g/mol
LogP3.33
Rot. Bonds3

About 1-(4-chlorophenyl)sulfonyl-4-(4-methylphenyl)pyrazol-3-amine

1-(4-chlorophenyl)sulfonyl-4-(4-methylphenyl)pyrazol-3-amine (PubChem CID 934499) has the molecular formula C16H14ClN3O2S and a molecular weight of 347.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-4-(4-methylphenyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-4-(4-methylphenyl)pyrazol-3-amine
PubChem CID934499
Molecular FormulaC16H14ClN3O2S
Molecular Weight347.83 g/mol
Exact Mass347.05
IUPAC Name1-(4-chlorophenyl)sulfonyl-4-(4-methylphenyl)pyrazol-3-amine
SMILESCc1ccc(-c2cn(S(=O)(=O)c3ccc(Cl)cc3)nc2N)cc1
InChIInChI=1S/C16H14ClN3O2S/c1-11-2-4-12(5-3-11)15-10-20(19-16(15)18)23(21,22)14-8-6-13(17)7-9-14/h2-10H,1H3,(H2,18,19)
InChIKeyLSFXZMBILAAPCF-UHFFFAOYSA-N
XLogP3.33
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.83
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Methylphenyl)sulfonyl-4-phenyl-3-pyrazolamine
CID 935379
3-{3-amino-1-[(4-chlorophenyl)sulfonyl]-1H-pyrazol-4-yl}benzonitrile
CID 1259020
4-(4-methylphenyl)-1-[(4-methylphenyl)sulfonyl]-1H-pyrazol-3-amine
CID 1256527
1-(4-Chlorophenyl)sulfonyl-3-methyl-4-phenylpyrazole
CID 2805335
1-(Benzenesulfonyl)-4-(4-fluoro-3-methylphenyl)pyrazol-3-amine
CID 935662
1-(Benzenesulfonyl)-4-(4-fluorophenyl)pyrazol-3-amine
CID 972834
1-(4-Fluorophenyl)sulfonyl-4-(4-methylphenyl)pyrazol-3-amine
CID 1256523
4-(4-Fluoro-3-methylphenyl)-1-(4-methylphenyl)sulfonylpyrazol-3-amine
CID 1258072
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

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-(4-methylphenyl)pyrazol-3-amine?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-(4-methylphenyl)pyrazol-3-amine (CID 934499) is 1-(4-chlorophenyl)sulfonyl-4-(4-methylphenyl)pyrazol-3-amine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-4-(4-methylphenyl)pyrazol-3-amine?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-4-(4-methylphenyl)pyrazol-3-amine is Cc1ccc(-c2cn(S(=O)(=O)c3ccc(Cl)cc3)nc2N)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-4-(4-methylphenyl)pyrazol-3-amine?
The InChIKey is LSFXZMBILAAPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2S/c1-11-2-4-12(5-3-11)15-10-20(19-16(15)18)23(21,22)14-8-6-13(17)7-9-14/h2-10H,1H3,(H2,18,19).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-4-(4-methylphenyl)pyrazol-3-amine?
1-(4-chlorophenyl)sulfonyl-4-(4-methylphenyl)pyrazol-3-amine has a molecular weight of 347.83 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-4-(4-methylphenyl)pyrazol-3-amine is sourced from PubChem (CID 934499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).