N-[4,5-dichloro-2-[(3-chloro-4-methylphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide

C17H13Cl3N2O4S3 — CID 67970049

IUPACN-[4,5-dichloro-2-[(3-chloro-4-methylphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2NS(=O)(=O)c2cccs2)cc1Cl
InChIInChI=1S/C17H13Cl3N2O4S3/c1-10-4-5-11(7-12(10)18)28(23,24)21-15-8-13(19)14(20)9-16(15)22-29(25,26)17-3-2-6-27-17/h2-9,21-22H,1H3
InChIKeyWPVNMSOUBNULRB-UHFFFAOYSA-N
MW511.86 g/mol
LogP5.62
Rot. Bonds6

About N-[4,5-dichloro-2-[(3-chloro-4-methylphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide

N-[4,5-dichloro-2-[(3-chloro-4-methylphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide (PubChem CID 67970049) has the molecular formula C17H13Cl3N2O4S3 and a molecular weight of 511.86 g/mol. Its IUPAC name is N-[4,5-dichloro-2-[(3-chloro-4-methylphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4,5-dichloro-2-[(3-chloro-4-methylphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
PubChem CID67970049
Molecular FormulaC17H13Cl3N2O4S3
Molecular Weight511.86 g/mol
Exact Mass509.91
IUPAC NameN-[4,5-dichloro-2-[(3-chloro-4-methylphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2NS(=O)(=O)c2cccs2)cc1Cl
InChIInChI=1S/C17H13Cl3N2O4S3/c1-10-4-5-11(7-12(10)18)28(23,24)21-15-8-13(19)14(20)9-16(15)22-29(25,26)17-3-2-6-27-17/h2-9,21-22H,1H3
InChIKeyWPVNMSOUBNULRB-UHFFFAOYSA-N
XLogP5.62
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.86
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4,5-dichloro-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970163
N-[4,5-dichloro-2-[[6-(methylamino)naphthalen-2-yl]sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 118101182
N-[4,5-dichloro-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970196
N-[4,5-dichloro-2-[[4-(2-methylphenoxy)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970274
5-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]-3-methylfuran-2-carboxylic acid
CID 118090945
N-[4,5-dichloro-2-[[4-(4-fluorophenyl)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970465
N-[[4-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]phenyl]methyl]acetamide
CID 67970395
N-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-sulfonamide
CID 8523500
N-[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 57379871
3-[4-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]phenyl]propanoic acid
CID 67970147
N-[4,5-dichloro-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 57383064
N-[4,5-dichloro-2-[(2,5-dichlorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970539

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dichloro-2-[(3-chloro-4-methylphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[4,5-dichloro-2-[(3-chloro-4-methylphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide (CID 67970049) is N-[4,5-dichloro-2-[(3-chloro-4-methylphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4,5-dichloro-2-[(3-chloro-4-methylphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[4,5-dichloro-2-[(3-chloro-4-methylphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2NS(=O)(=O)c2cccs2)cc1Cl.
What is the InChIKey of N-[4,5-dichloro-2-[(3-chloro-4-methylphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide?
The InChIKey is WPVNMSOUBNULRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl3N2O4S3/c1-10-4-5-11(7-12(10)18)28(23,24)21-15-8-13(19)14(20)9-16(15)22-29(25,26)17-3-2-6-27-17/h2-9,21-22H,1H3.
What are the key properties of N-[4,5-dichloro-2-[(3-chloro-4-methylphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide?
N-[4,5-dichloro-2-[(3-chloro-4-methylphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide has a molecular weight of 511.86 g/mol, XLogP of 5.62, 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-[(3-chloro-4-methylphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 67970049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).