4-[5-(3-bromo-4-methoxyphenyl)-3-cyanopyrazol-1-yl]benzenesulfonamide

C17H13BrN4O3S — CID 22315357

IUPAC4-[5-(3-bromo-4-methoxyphenyl)-3-cyanopyrazol-1-yl]benzenesulfonamide
SMILESCOc1ccc(-c2cc(C#N)nn2-c2ccc(S(N)(=O)=O)cc2)cc1Br
InChIInChI=1S/C17H13BrN4O3S/c1-25-17-7-2-11(8-15(17)18)16-9-12(10-19)21-22(16)13-3-5-14(6-4-13)26(20,23)24/h2-9H,1H3,(H2,20,23,24)
InChIKeyMXRCRJULHYVPSG-UHFFFAOYSA-N
MW433.29 g/mol
LogP2.83
Rot. Bonds4

About 4-[5-(3-bromo-4-methoxyphenyl)-3-cyanopyrazol-1-yl]benzenesulfonamide

4-[5-(3-bromo-4-methoxyphenyl)-3-cyanopyrazol-1-yl]benzenesulfonamide (PubChem CID 22315357) has the molecular formula C17H13BrN4O3S and a molecular weight of 433.29 g/mol. Its IUPAC name is 4-[5-(3-bromo-4-methoxyphenyl)-3-cyanopyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(3-bromo-4-methoxyphenyl)-3-cyanopyrazol-1-yl]benzenesulfonamide
PubChem CID22315357
Molecular FormulaC17H13BrN4O3S
Molecular Weight433.29 g/mol
Exact Mass431.99
IUPAC Name4-[5-(3-bromo-4-methoxyphenyl)-3-cyanopyrazol-1-yl]benzenesulfonamide
SMILESCOc1ccc(-c2cc(C#N)nn2-c2ccc(S(N)(=O)=O)cc2)cc1Br
InChIInChI=1S/C17H13BrN4O3S/c1-25-17-7-2-11(8-15(17)18)16-9-12(10-19)21-22(16)13-3-5-14(6-4-13)26(20,23)24/h2-9H,1H3,(H2,20,23,24)
InChIKeyMXRCRJULHYVPSG-UHFFFAOYSA-N
XLogP2.83
TPSA111.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.29
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-bromo-4-methoxyphenyl)benzenesulfonamide
CID 57313510
4-[5-(3-fluoro-4-methoxyphenyl)-3-(1-fluoro-1-phosphanylethyl)pyrazol-1-yl]benzenesulfonamide
CID 143009192
5-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)pyrazole-3-carbonitrile
CID 10735976
4-[5-(4-methoxy-3-prop-1-enylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 54246153
1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazole-3-carbonitrile
CID 94962094
1-[[5-(3-chloro-4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]methyl]-1-hydroxyurea
CID 87973466
N-[4-[3-cyano-5-(4-methoxyphenyl)pyrazol-1-yl]phenyl]formamide
CID 19886103
4-[4-cyano-5-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide
CID 22315541
4-[1-(4-methoxyphenyl)-3-propanoylpyrazol-5-yl]benzenesulfonamide
CID 162670996
2-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetamide
CID 139817988
5-(4-methoxyphenyl)-N-methyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 22315479
5-(4-methoxy-3-methylphenyl)-1-methylpyrazole-3-carbonitrile
CID 39247018

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-bromo-4-methoxyphenyl)-3-cyanopyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(3-bromo-4-methoxyphenyl)-3-cyanopyrazol-1-yl]benzenesulfonamide (CID 22315357) is 4-[5-(3-bromo-4-methoxyphenyl)-3-cyanopyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(3-bromo-4-methoxyphenyl)-3-cyanopyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(3-bromo-4-methoxyphenyl)-3-cyanopyrazol-1-yl]benzenesulfonamide is COc1ccc(-c2cc(C#N)nn2-c2ccc(S(N)(=O)=O)cc2)cc1Br.
What is the InChIKey of 4-[5-(3-bromo-4-methoxyphenyl)-3-cyanopyrazol-1-yl]benzenesulfonamide?
The InChIKey is MXRCRJULHYVPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN4O3S/c1-25-17-7-2-11(8-15(17)18)16-9-12(10-19)21-22(16)13-3-5-14(6-4-13)26(20,23)24/h2-9H,1H3,(H2,20,23,24).
What are the key properties of 4-[5-(3-bromo-4-methoxyphenyl)-3-cyanopyrazol-1-yl]benzenesulfonamide?
4-[5-(3-bromo-4-methoxyphenyl)-3-cyanopyrazol-1-yl]benzenesulfonamide has a molecular weight of 433.29 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-bromo-4-methoxyphenyl)-3-cyanopyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 22315357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).