2,5-dichloro-N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)thiophene-3-sulfonamide

C16H11Cl3N2O2S2 — CID 52708261

IUPAC2,5-dichloro-N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)thiophene-3-sulfonamide
SMILESO=S(=O)(c1cc(Cl)sc1Cl)N(Cc1cccnc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H11Cl3N2O2S2/c17-12-3-5-13(6-4-12)21(10-11-2-1-7-20-9-11)25(22,23)14-8-15(18)24-16(14)19/h1-9H,10H2
InChIKeyWQFQDRJVVHKCBV-UHFFFAOYSA-N
MW433.77 g/mol
LogP5.50
Rot. Bonds5

About 2,5-dichloro-N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)thiophene-3-sulfonamide

2,5-dichloro-N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)thiophene-3-sulfonamide (PubChem CID 52708261) has the molecular formula C16H11Cl3N2O2S2 and a molecular weight of 433.77 g/mol. Its IUPAC name is 2,5-dichloro-N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)thiophene-3-sulfonamide
PubChem CID52708261
Molecular FormulaC16H11Cl3N2O2S2
Molecular Weight433.77 g/mol
Exact Mass431.93
IUPAC Name2,5-dichloro-N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)thiophene-3-sulfonamide
SMILESO=S(=O)(c1cc(Cl)sc1Cl)N(Cc1cccnc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H11Cl3N2O2S2/c17-12-3-5-13(6-4-12)21(10-11-2-1-7-20-9-11)25(22,23)14-8-15(18)24-16(14)19/h1-9H,10H2
InChIKeyWQFQDRJVVHKCBV-UHFFFAOYSA-N
XLogP5.50
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.77
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 52634270
2-bromo-N-(4-chlorophenyl)-4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 52634284
4-chloro-N-(4-chlorophenyl)-2-nitro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 52708249
N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)propane-2-sulfonamide
CID 14720281
methyl 4-chloro-3-[(4-chlorophenyl)-(pyridin-3-ylmethyl)sulfamoyl]benzoate
CID 52634255
5-chloro-N-phenyl-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 110360283
N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 52634275
ethyl 3-[(4-chlorophenyl)-(pyridin-3-ylmethyl)sulfamoyl]benzoate
CID 60611098
N-(4-chlorophenyl)-1-(3-cyanophenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 60539973
N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 60540058
N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360446
2-chloro-N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360581

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)thiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)thiophene-3-sulfonamide (CID 52708261) is 2,5-dichloro-N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)thiophene-3-sulfonamide is O=S(=O)(c1cc(Cl)sc1Cl)N(Cc1cccnc1)c1ccc(Cl)cc1.
What is the InChIKey of 2,5-dichloro-N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)thiophene-3-sulfonamide?
The InChIKey is WQFQDRJVVHKCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl3N2O2S2/c17-12-3-5-13(6-4-12)21(10-11-2-1-7-20-9-11)25(22,23)14-8-15(18)24-16(14)19/h1-9H,10H2.
What are the key properties of 2,5-dichloro-N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)thiophene-3-sulfonamide?
2,5-dichloro-N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)thiophene-3-sulfonamide has a molecular weight of 433.77 g/mol, XLogP of 5.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 52708261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).