N-[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]-5-pyridin-2-ylthiophene-2-sulfonamide

C19H13Cl2N3O4S4 — CID 67970190

IUPACN-[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]-5-pyridin-2-ylthiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cc(Cl)c(Cl)cc1NS(=O)(=O)c1ccc(-c2ccccn2)s1)c1cccs1
InChIInChI=1S/C19H13Cl2N3O4S4/c20-12-10-15(23-31(25,26)18-5-3-9-29-18)16(11-13(12)21)24-32(27,28)19-7-6-17(30-19)14-4-1-2-8-22-14/h1-11,23-24H
InChIKeyMZWGOFIXFLSOKS-UHFFFAOYSA-N
MW546.50 g/mol
LogP5.78
Rot. Bonds7

About N-[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]-5-pyridin-2-ylthiophene-2-sulfonamide

N-[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]-5-pyridin-2-ylthiophene-2-sulfonamide (PubChem CID 67970190) has the molecular formula C19H13Cl2N3O4S4 and a molecular weight of 546.50 g/mol. Its IUPAC name is N-[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]-5-pyridin-2-ylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]-5-pyridin-2-ylthiophene-2-sulfonamide
PubChem CID67970190
Molecular FormulaC19H13Cl2N3O4S4
Molecular Weight546.50 g/mol
Exact Mass544.92
IUPAC NameN-[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]-5-pyridin-2-ylthiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cc(Cl)c(Cl)cc1NS(=O)(=O)c1ccc(-c2ccccn2)s1)c1cccs1
InChIInChI=1S/C19H13Cl2N3O4S4/c20-12-10-15(23-31(25,26)18-5-3-9-29-18)16(11-13(12)21)24-32(27,28)19-7-6-17(30-19)14-4-1-2-8-22-14/h1-11,23-24H
InChIKeyMZWGOFIXFLSOKS-UHFFFAOYSA-N
XLogP5.78
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.50
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 67970688
N-[4,5-dichloro-2-[(2,5-dichlorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970539
N-(2-chloro-3-pyridinyl)thiophene-2-sulfonamide
CID 2405422
N-[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-sulfonamide
CID 67970121
N-[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 57379871
N-[4,5-dichloro-2-[(2,4-dimethoxyphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 57382707
5-pyridin-2-yl-N-(thiophen-2-ylmethylideneamino)thiophene-2-sulfonamide
CID 2820420
N-[4,5-dichloro-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970196
N-[4,5-dichloro-2-[(3-chloro-4-methylphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970049
N-[4,5-dichloro-2-[[5-(methylamino)naphthalen-1-yl]sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 118101217
methyl 5-chloro-3-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]thiophene-2-carboxylate
CID 67970194
N-[4,5-dichloro-2-[[4-(4-fluorophenyl)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970465

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]-5-pyridin-2-ylthiophene-2-sulfonamide?
The IUPAC name of N-[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]-5-pyridin-2-ylthiophene-2-sulfonamide (CID 67970190) is N-[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]-5-pyridin-2-ylthiophene-2-sulfonamide.
What is the SMILES notation for N-[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]-5-pyridin-2-ylthiophene-2-sulfonamide?
The canonical SMILES for N-[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]-5-pyridin-2-ylthiophene-2-sulfonamide is O=S(=O)(Nc1cc(Cl)c(Cl)cc1NS(=O)(=O)c1ccc(-c2ccccn2)s1)c1cccs1.
What is the InChIKey of N-[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]-5-pyridin-2-ylthiophene-2-sulfonamide?
The InChIKey is MZWGOFIXFLSOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N3O4S4/c20-12-10-15(23-31(25,26)18-5-3-9-29-18)16(11-13(12)21)24-32(27,28)19-7-6-17(30-19)14-4-1-2-8-22-14/h1-11,23-24H.
What are the key properties of N-[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]-5-pyridin-2-ylthiophene-2-sulfonamide?
N-[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]-5-pyridin-2-ylthiophene-2-sulfonamide has a molecular weight of 546.50 g/mol, XLogP of 5.78, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]-5-pyridin-2-ylthiophene-2-sulfonamide is sourced from PubChem (CID 67970190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).