5-chloro-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide

C14H10Cl3N3O2S2 — CID 22206944

IUPAC5-chloro-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccn(Cc2ccc(Cl)c(Cl)c2)n1)c1ccc(Cl)s1
InChIInChI=1S/C14H10Cl3N3O2S2/c15-10-2-1-9(7-11(10)16)8-20-6-5-13(18-20)19-24(21,22)14-4-3-12(17)23-14/h1-7H,8H2,(H,18,19)
InChIKeyUSBOUJFJPYHMLJ-UHFFFAOYSA-N
MW422.75 g/mol
LogP4.75
Rot. Bonds5

About 5-chloro-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide

5-chloro-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide (PubChem CID 22206944) has the molecular formula C14H10Cl3N3O2S2 and a molecular weight of 422.75 g/mol. Its IUPAC name is 5-chloro-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide
PubChem CID22206944
Molecular FormulaC14H10Cl3N3O2S2
Molecular Weight422.75 g/mol
Exact Mass420.93
IUPAC Name5-chloro-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccn(Cc2ccc(Cl)c(Cl)c2)n1)c1ccc(Cl)s1
InChIInChI=1S/C14H10Cl3N3O2S2/c15-10-2-1-9(7-11(10)16)8-20-6-5-13(18-20)19-24(21,22)14-4-3-12(17)23-14/h1-7H,8H2,(H,18,19)
InChIKeyUSBOUJFJPYHMLJ-UHFFFAOYSA-N
XLogP4.75
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.75
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22206918
5-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide
CID 22204232
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-ethylpyrazole-4-sulfonamide
CID 22206959
5-chloro-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1-benzothiophene-2-sulfonamide
CID 166229444
2,4-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22201917
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 22201717
2,5-dichloro-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22206532
2-chloro-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-5-(trifluoromethyl)benzenesulfonamide
CID 52818585
1-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]thiourea
CID 19399326
2,4,5-trichloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22204243
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3,4-dimethylbenzenesulfonamide
CID 22203546
5-chloro-N-[4-(piperidin-1-ylmethyl)phenyl]thiophene-2-sulfonamide
CID 22205412

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide (CID 22206944) is 5-chloro-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide is O=S(=O)(Nc1ccn(Cc2ccc(Cl)c(Cl)c2)n1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide?
The InChIKey is USBOUJFJPYHMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3N3O2S2/c15-10-2-1-9(7-11(10)16)8-20-6-5-13(18-20)19-24(21,22)14-4-3-12(17)23-14/h1-7H,8H2,(H,18,19).
What are the key properties of 5-chloro-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide?
5-chloro-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide has a molecular weight of 422.75 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 22206944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).