2-[4-chloro-5-(3-chloro-4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide

C16H13Cl2N3O3S — CID 67663434

IUPAC2-[4-chloro-5-(3-chloro-4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide
SMILESCOc1ccc(-c2c(Cl)cnn2-c2ccccc2S(N)(=O)=O)cc1Cl
InChIInChI=1S/C16H13Cl2N3O3S/c1-24-14-7-6-10(8-11(14)17)16-12(18)9-20-21(16)13-4-2-3-5-15(13)25(19,22)23/h2-9H,1H3,(H2,19,22,23)
InChIKeyGFAXAOBTDIPHGG-UHFFFAOYSA-N
MW398.27 g/mol
LogP3.50
Rot. Bonds4

About 2-[4-chloro-5-(3-chloro-4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide

2-[4-chloro-5-(3-chloro-4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 67663434) has the molecular formula C16H13Cl2N3O3S and a molecular weight of 398.27 g/mol. Its IUPAC name is 2-[4-chloro-5-(3-chloro-4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[4-chloro-5-(3-chloro-4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID67663434
Molecular FormulaC16H13Cl2N3O3S
Molecular Weight398.27 g/mol
Exact Mass397.01
IUPAC Name2-[4-chloro-5-(3-chloro-4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide
SMILESCOc1ccc(-c2c(Cl)cnn2-c2ccccc2S(N)(=O)=O)cc1Cl
InChIInChI=1S/C16H13Cl2N3O3S/c1-24-14-7-6-10(8-11(14)17)16-12(18)9-20-21(16)13-4-2-3-5-15(13)25(19,22)23/h2-9H,1H3,(H2,19,22,23)
InChIKeyGFAXAOBTDIPHGG-UHFFFAOYSA-N
XLogP3.50
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.27
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(3-chloro-4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 67662512
2-[5-(4-chlorophenyl)-4-methylsulfonylpyrazol-1-yl]benzenesulfonamide
CID 67663311
1-[4-[5-(3-chloro-4-methoxyphenyl)-1-(2-sulfamoylphenyl)pyrazol-3-yl]phenyl]-1-hydroxyurea
CID 22505133
2-[5-(3-bromo-4-methoxyphenyl)-3-(difluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 67662320
4-chloro-5-(3-chlorophenyl)-1-[2-(4-methoxyphenyl)phenyl]pyrazole
CID 175328321
4-[4-chloro-5-(3-chloro-4-methoxyphenyl)imidazol-1-yl]benzenesulfonamide
CID 10294269
2-[3-(4-chlorophenyl)-5-(3,4-dichlorophenyl)pyrazol-1-yl]benzenesulfonamide
CID 67580377
2-[2-(3,5-dichloro-4-methoxyphenyl)pyrrol-1-yl]benzenesulfonamide
CID 67603683
2-[5-(4-methoxyphenyl)-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 67662430
3-[5-(3-chloro-4-methoxyphenyl)-6-(2-sulfamoylphenyl)-3-pyridinyl]-N-hydroxy-N-methylpropanamide
CID 22505373
2-[4-chloro-3,5-bis(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide
CID 67580480
2-[2-(4-chloro-3,5-dimethoxyphenyl)phenyl]benzenesulfonamide
CID 23217422

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-(3-chloro-4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 2-[4-chloro-5-(3-chloro-4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide (CID 67663434) is 2-[4-chloro-5-(3-chloro-4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 2-[4-chloro-5-(3-chloro-4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 2-[4-chloro-5-(3-chloro-4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide is COc1ccc(-c2c(Cl)cnn2-c2ccccc2S(N)(=O)=O)cc1Cl.
What is the InChIKey of 2-[4-chloro-5-(3-chloro-4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is GFAXAOBTDIPHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O3S/c1-24-14-7-6-10(8-11(14)17)16-12(18)9-20-21(16)13-4-2-3-5-15(13)25(19,22)23/h2-9H,1H3,(H2,19,22,23).
What are the key properties of 2-[4-chloro-5-(3-chloro-4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide?
2-[4-chloro-5-(3-chloro-4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 398.27 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-(3-chloro-4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 67663434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).