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

C17H14Cl2N2O6S3 — CID 118101197

IUPACN-[4,5-dichloro-2-[(2-hydroxy-5-methoxyphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
SMILESCOc1ccc(O)c(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C17H14Cl2N2O6S3/c1-27-10-4-5-15(22)16(7-10)29(23,24)20-13-8-11(18)12(19)9-14(13)21-30(25,26)17-3-2-6-28-17/h2-9,20-22H,1H3
InChIKeyJETRGURXMSZIQT-UHFFFAOYSA-N
MW509.41 g/mol
LogP4.37
Rot. Bonds7

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

N-[4,5-dichloro-2-[(2-hydroxy-5-methoxyphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide (PubChem CID 118101197) has the molecular formula C17H14Cl2N2O6S3 and a molecular weight of 509.41 g/mol. Its IUPAC name is N-[4,5-dichloro-2-[(2-hydroxy-5-methoxyphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4,5-dichloro-2-[(2-hydroxy-5-methoxyphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
PubChem CID118101197
Molecular FormulaC17H14Cl2N2O6S3
Molecular Weight509.41 g/mol
Exact Mass507.94
IUPAC NameN-[4,5-dichloro-2-[(2-hydroxy-5-methoxyphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
SMILESCOc1ccc(O)c(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C17H14Cl2N2O6S3/c1-27-10-4-5-15(22)16(7-10)29(23,24)20-13-8-11(18)12(19)9-14(13)21-30(25,26)17-3-2-6-28-17/h2-9,20-22H,1H3
InChIKeyJETRGURXMSZIQT-UHFFFAOYSA-N
XLogP4.37
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.41
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4,5-dichloro-2-[(2,4-dimethoxyphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 57382707
methyl 5-chloro-3-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]thiophene-2-carboxylate
CID 67970194
N-[4,5-dichloro-2-[(2,5-dichlorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970539
N-[4,5-dichloro-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970163
N-[4,5-dichloro-2-[[4-(2-methylphenoxy)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970274
N-[4,5-dichloro-2-[[5-(methylamino)naphthalen-1-yl]sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 118101217
N-(5-tert-butyl-2-hydroxyphenyl)thiophene-2-sulfonamide
CID 43398038
N-[4,5-dichloro-2-[(3-chloro-4-methylphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970049
N-[4,5-dichloro-2-[[6-(methylamino)naphthalen-2-yl]sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 118101182
N-[[4-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]phenyl]methyl]acetamide
CID 67970395
N-[4,5-dichloro-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970196
N-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-sulfonamide
CID 8523500

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dichloro-2-[(2-hydroxy-5-methoxyphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[4,5-dichloro-2-[(2-hydroxy-5-methoxyphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide (CID 118101197) is N-[4,5-dichloro-2-[(2-hydroxy-5-methoxyphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4,5-dichloro-2-[(2-hydroxy-5-methoxyphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[4,5-dichloro-2-[(2-hydroxy-5-methoxyphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide is COc1ccc(O)c(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2NS(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-[4,5-dichloro-2-[(2-hydroxy-5-methoxyphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide?
The InChIKey is JETRGURXMSZIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O6S3/c1-27-10-4-5-15(22)16(7-10)29(23,24)20-13-8-11(18)12(19)9-14(13)21-30(25,26)17-3-2-6-28-17/h2-9,20-22H,1H3.
What are the key properties of N-[4,5-dichloro-2-[(2-hydroxy-5-methoxyphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide?
N-[4,5-dichloro-2-[(2-hydroxy-5-methoxyphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide has a molecular weight of 509.41 g/mol, XLogP of 4.37, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dichloro-2-[(2-hydroxy-5-methoxyphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 118101197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).