5-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide

C14H10Cl2FN3O2S2 — CID 22204232

IUPAC5-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccn(Cc2c(F)cccc2Cl)n1)c1ccc(Cl)s1
InChIInChI=1S/C14H10Cl2FN3O2S2/c15-10-2-1-3-11(17)9(10)8-20-7-6-13(18-20)19-24(21,22)14-5-4-12(16)23-14/h1-7H,8H2,(H,18,19)
InChIKeyFKDTWJBUIBHTFG-UHFFFAOYSA-N
MW406.29 g/mol
LogP4.24
Rot. Bonds5

About 5-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide

5-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide (PubChem CID 22204232) has the molecular formula C14H10Cl2FN3O2S2 and a molecular weight of 406.29 g/mol. Its IUPAC name is 5-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide
PubChem CID22204232
Molecular FormulaC14H10Cl2FN3O2S2
Molecular Weight406.29 g/mol
Exact Mass404.96
IUPAC Name5-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccn(Cc2c(F)cccc2Cl)n1)c1ccc(Cl)s1
InChIInChI=1S/C14H10Cl2FN3O2S2/c15-10-2-1-3-11(17)9(10)8-20-7-6-13(18-20)19-24(21,22)14-5-4-12(16)23-14/h1-7H,8H2,(H,18,19)
InChIKeyFKDTWJBUIBHTFG-UHFFFAOYSA-N
XLogP4.24
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.29
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide (CID 22204232) is 5-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide is O=S(=O)(Nc1ccn(Cc2c(F)cccc2Cl)n1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide?
The InChIKey is FKDTWJBUIBHTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2FN3O2S2/c15-10-2-1-3-11(17)9(10)8-20-7-6-13(18-20)19-24(21,22)14-5-4-12(16)23-14/h1-7H,8H2,(H,18,19).
What are the key properties of 5-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide?
5-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide has a molecular weight of 406.29 g/mol, XLogP of 4.24, 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-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 22204232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).