N-[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide

C17H11Cl2N3O5S4 — CID 67970688

IUPACN-[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cc(Cl)c(Cl)cc1NS(=O)(=O)c1ccc(-c2ccno2)s1)c1cccs1
InChIInChI=1S/C17H11Cl2N3O5S4/c18-10-8-12(21-30(23,24)16-2-1-7-28-16)13(9-11(10)19)22-31(25,26)17-4-3-15(29-17)14-5-6-20-27-14/h1-9,21-22H
InChIKeyPQSLWZZYXCODLS-UHFFFAOYSA-N
MW536.47 g/mol
LogP5.37
Rot. Bonds7

About N-[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide

N-[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide (PubChem CID 67970688) has the molecular formula C17H11Cl2N3O5S4 and a molecular weight of 536.47 g/mol. Its IUPAC name is N-[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
PubChem CID67970688
Molecular FormulaC17H11Cl2N3O5S4
Molecular Weight536.47 g/mol
Exact Mass534.90
IUPAC NameN-[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cc(Cl)c(Cl)cc1NS(=O)(=O)c1ccc(-c2ccno2)s1)c1cccs1
InChIInChI=1S/C17H11Cl2N3O5S4/c18-10-8-12(21-30(23,24)16-2-1-7-28-16)13(9-11(10)19)22-31(25,26)17-4-3-15(29-17)14-5-6-20-27-14/h1-9,21-22H
InChIKeyPQSLWZZYXCODLS-UHFFFAOYSA-N
XLogP5.37
TPSA118.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.47
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]-5-pyridin-2-ylthiophene-2-sulfonamide
CID 67970190
N-(2-methoxyphenyl)-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 53112015
N-[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 57379871
N-[4,5-dichloro-2-[(2,5-dichlorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970539
N-(2-chlorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936284
N-(3-cyanophenyl)-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 53111985
N-[4,5-dichloro-2-[[4-(4-fluorophenyl)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970465
5-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]furan-3-carboxylic acid
CID 118090946
N-[4,5-dichloro-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970196
N-(1,3-benzodioxol-5-yl)-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 53111983
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-[(3-chloro-4-methylphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970049

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide?
The IUPAC name of N-[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide (CID 67970688) is N-[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide is O=S(=O)(Nc1cc(Cl)c(Cl)cc1NS(=O)(=O)c1ccc(-c2ccno2)s1)c1cccs1.
What is the InChIKey of N-[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide?
The InChIKey is PQSLWZZYXCODLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2N3O5S4/c18-10-8-12(21-30(23,24)16-2-1-7-28-16)13(9-11(10)19)22-31(25,26)17-4-3-15(29-17)14-5-6-20-27-14/h1-9,21-22H.
What are the key properties of N-[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide?
N-[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide has a molecular weight of 536.47 g/mol, XLogP of 5.37, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 67970688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).