4-chloro-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide

C16H12Cl3N3O2S — CID 22206918

IUPAC4-chloro-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccn(Cc2ccc(Cl)c(Cl)c2)n1)c1ccc(Cl)cc1
InChIInChI=1S/C16H12Cl3N3O2S/c17-12-2-4-13(5-3-12)25(23,24)21-16-7-8-22(20-16)10-11-1-6-14(18)15(19)9-11/h1-9H,10H2,(H,20,21)
InChIKeyYQUOBJLBKHUVAY-UHFFFAOYSA-N
MW416.72 g/mol
LogP4.69
Rot. Bonds5

About 4-chloro-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide

4-chloro-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide (PubChem CID 22206918) has the molecular formula C16H12Cl3N3O2S and a molecular weight of 416.72 g/mol. Its IUPAC name is 4-chloro-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
PubChem CID22206918
Molecular FormulaC16H12Cl3N3O2S
Molecular Weight416.72 g/mol
Exact Mass414.97
IUPAC Name4-chloro-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccn(Cc2ccc(Cl)c(Cl)c2)n1)c1ccc(Cl)cc1
InChIInChI=1S/C16H12Cl3N3O2S/c17-12-2-4-13(5-3-12)25(23,24)21-16-7-8-22(20-16)10-11-1-6-14(18)15(19)9-11/h1-9H,10H2,(H,20,21)
InChIKeyYQUOBJLBKHUVAY-UHFFFAOYSA-N
XLogP4.69
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.72
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-ethylpyrazole-4-sulfonamide
CID 22206959
5-chloro-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide
CID 22206944
4-chloro-N-(1-ethylpyrazol-3-yl)benzenesulfonamide
CID 22209166
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 22201717
1-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]thiourea
CID 19399326
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]naphthalene-2-sulfonamide
CID 4775946
N-[4-[[1-[(4-methylphenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide
CID 22201934
N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-propylbenzenesulfonamide
CID 22204619
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3,4-dimethylbenzenesulfonamide
CID 22203546
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22203582
2,5-dichloro-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22206532
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 17022917

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide (CID 22206918) is 4-chloro-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide is O=S(=O)(Nc1ccn(Cc2ccc(Cl)c(Cl)c2)n1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide?
The InChIKey is YQUOBJLBKHUVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl3N3O2S/c17-12-2-4-13(5-3-12)25(23,24)21-16-7-8-22(20-16)10-11-1-6-14(18)15(19)9-11/h1-9H,10H2,(H,20,21).
What are the key properties of 4-chloro-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide?
4-chloro-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide has a molecular weight of 416.72 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 22206918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).