N-[4,5-dichloro-2-[(2,5-dichlorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide

C16H10Cl4N2O4S3 — CID 67970539

IUPACN-[4,5-dichloro-2-[(2,5-dichlorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cc(Cl)c(Cl)cc1NS(=O)(=O)c1cc(Cl)ccc1Cl)c1cccs1
InChIInChI=1S/C16H10Cl4N2O4S3/c17-9-3-4-10(18)15(6-9)28(23,24)21-13-7-11(19)12(20)8-14(13)22-29(25,26)16-2-1-5-27-16/h1-8,21-22H
InChIKeyUAAIMGIADGXLBA-UHFFFAOYSA-N
MW532.28 g/mol
LogP5.96
Rot. Bonds6

About N-[4,5-dichloro-2-[(2,5-dichlorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide

N-[4,5-dichloro-2-[(2,5-dichlorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide (PubChem CID 67970539) has the molecular formula C16H10Cl4N2O4S3 and a molecular weight of 532.28 g/mol. Its IUPAC name is N-[4,5-dichloro-2-[(2,5-dichlorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4,5-dichloro-2-[(2,5-dichlorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
PubChem CID67970539
Molecular FormulaC16H10Cl4N2O4S3
Molecular Weight532.28 g/mol
Exact Mass529.86
IUPAC NameN-[4,5-dichloro-2-[(2,5-dichlorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cc(Cl)c(Cl)cc1NS(=O)(=O)c1cc(Cl)ccc1Cl)c1cccs1
InChIInChI=1S/C16H10Cl4N2O4S3/c17-9-3-4-10(18)15(6-9)28(23,24)21-13-7-11(19)12(20)8-14(13)22-29(25,26)16-2-1-5-27-16/h1-8,21-22H
InChIKeyUAAIMGIADGXLBA-UHFFFAOYSA-N
XLogP5.96
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.28
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4,5-dichloro-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970196
N-[4,5-dichloro-2-[[5-(methylamino)naphthalen-1-yl]sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 118101217
N-[4,5-dichloro-2-[(2,4-dimethoxyphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 57382707
N-(5-bromo-2-chlorophenyl)thiophene-2-sulfonamide
CID 55132063
N-[4,5-dichloro-2-[(2-hydroxy-5-methoxyphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 118101197
N-[4,5-dichloro-2-[(3-chloro-4-methylphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970049
methyl 5-chloro-3-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]thiophene-2-carboxylate
CID 67970194
N-(5-chloro-2-methylsulfinylphenyl)thiophene-2-sulfonamide
CID 67972821
N-[4,5-dichloro-2-[[4-(4-fluorophenyl)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970465
N-[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]-5-pyridin-2-ylthiophene-2-sulfonamide
CID 67970190
1-(2,5-dichlorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine
CID 17379420
N-[4,5-dichloro-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970163

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dichloro-2-[(2,5-dichlorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[4,5-dichloro-2-[(2,5-dichlorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide (CID 67970539) is N-[4,5-dichloro-2-[(2,5-dichlorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4,5-dichloro-2-[(2,5-dichlorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[4,5-dichloro-2-[(2,5-dichlorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1cc(Cl)c(Cl)cc1NS(=O)(=O)c1cc(Cl)ccc1Cl)c1cccs1.
What is the InChIKey of N-[4,5-dichloro-2-[(2,5-dichlorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide?
The InChIKey is UAAIMGIADGXLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl4N2O4S3/c17-9-3-4-10(18)15(6-9)28(23,24)21-13-7-11(19)12(20)8-14(13)22-29(25,26)16-2-1-5-27-16/h1-8,21-22H.
What are the key properties of N-[4,5-dichloro-2-[(2,5-dichlorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide?
N-[4,5-dichloro-2-[(2,5-dichlorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide has a molecular weight of 532.28 g/mol, XLogP of 5.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dichloro-2-[(2,5-dichlorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 67970539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).