1-(benzenesulfonyl)-3-(4-bromophenyl)pyrazol-5-amine

C15H12BrN3O2S — CID 5308599

IUPAC1-(benzenesulfonyl)-3-(4-bromophenyl)pyrazol-5-amine
SMILESNc1cc(-c2ccc(Br)cc2)nn1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H12BrN3O2S/c16-12-8-6-11(7-9-12)14-10-15(17)19(18-14)22(20,21)13-4-2-1-3-5-13/h1-10H,17H2
InChIKeyYRGBYUPIJWUYSG-UHFFFAOYSA-N
MW378.25 g/mol
LogP3.13
Rot. Bonds3

About 1-(benzenesulfonyl)-3-(4-bromophenyl)pyrazol-5-amine

1-(benzenesulfonyl)-3-(4-bromophenyl)pyrazol-5-amine (PubChem CID 5308599) has the molecular formula C15H12BrN3O2S and a molecular weight of 378.25 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-(4-bromophenyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-(4-bromophenyl)pyrazol-5-amine
PubChem CID5308599
Molecular FormulaC15H12BrN3O2S
Molecular Weight378.25 g/mol
Exact Mass376.98
IUPAC Name1-(benzenesulfonyl)-3-(4-bromophenyl)pyrazol-5-amine
SMILESNc1cc(-c2ccc(Br)cc2)nn1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H12BrN3O2S/c16-12-8-6-11(7-9-12)14-10-15(17)19(18-14)22(20,21)13-4-2-1-3-5-13/h1-10H,17H2
InChIKeyYRGBYUPIJWUYSG-UHFFFAOYSA-N
XLogP3.13
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.25
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-{[3-(4-bromophenyl)-1H-pyrazol-5-yl]amino}benzene-1-sulfonamide
CID 6539616
1-(Benzenesulfonyl)-3-(4-chlorophenyl)pyrazol-5-amine
CID 9551531
3-(4-Bromophenyl)-1-propylsulfonylpyrazol-5-amine
CID 5309813
2-(4-Fluorophenyl)sulfonyl-5-phenyl-3-pyrazolamine
CID 9550503
N-[4-bromo-5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]benzenesulfonamide
CID 2818982
3-Methyl-1-tosyl-1H-pyrazol-5-amine
CID 1253444
1-Ethylsulfonyl-3-phenylpyrazol-5-amine
CID 5307362
3-Phenyl-1-propylsulfonylpyrazol-5-amine
CID 9551532
1-(4-Bromobenzenesulfonyl)-3-phenyl-1H-pyrazol-5-amine
CID 9551546
N-[5-(4-bromophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 23209728
2-(2,3,4,5,6-Pentafluorophenyl)sulfonyl-5-phenyl-3-pyrazolamine
CID 16654628
3-(3-Fluorophenyl)-1-(4-fluorophenyl)sulfonylpyrazol-5-amine
CID 20873602

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-(4-bromophenyl)pyrazol-5-amine?
The IUPAC name of 1-(benzenesulfonyl)-3-(4-bromophenyl)pyrazol-5-amine (CID 5308599) is 1-(benzenesulfonyl)-3-(4-bromophenyl)pyrazol-5-amine.
What is the SMILES notation for 1-(benzenesulfonyl)-3-(4-bromophenyl)pyrazol-5-amine?
The canonical SMILES for 1-(benzenesulfonyl)-3-(4-bromophenyl)pyrazol-5-amine is Nc1cc(-c2ccc(Br)cc2)nn1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-3-(4-bromophenyl)pyrazol-5-amine?
The InChIKey is YRGBYUPIJWUYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O2S/c16-12-8-6-11(7-9-12)14-10-15(17)19(18-14)22(20,21)13-4-2-1-3-5-13/h1-10H,17H2.
What are the key properties of 1-(benzenesulfonyl)-3-(4-bromophenyl)pyrazol-5-amine?
1-(benzenesulfonyl)-3-(4-bromophenyl)pyrazol-5-amine has a molecular weight of 378.25 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-(4-bromophenyl)pyrazol-5-amine is sourced from PubChem (CID 5308599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).