N-[[4-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]phenyl]methyl]acetamide

C19H17Cl2N3O5S3 — CID 67970395

IUPACN-[[4-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C19H17Cl2N3O5S3/c1-12(25)22-11-13-4-6-14(7-5-13)31(26,27)23-17-9-15(20)16(21)10-18(17)24-32(28,29)19-3-2-8-30-19/h2-10,23-24H,11H2,1H3,(H,22,25)
InChIKeyFYIUUCKAHZEKOT-UHFFFAOYSA-N
MW534.47 g/mol
LogP4.29
Rot. Bonds8

About N-[[4-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]phenyl]methyl]acetamide

N-[[4-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]phenyl]methyl]acetamide (PubChem CID 67970395) has the molecular formula C19H17Cl2N3O5S3 and a molecular weight of 534.47 g/mol. Its IUPAC name is N-[[4-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]phenyl]methyl]acetamide
PubChem CID67970395
Molecular FormulaC19H17Cl2N3O5S3
Molecular Weight534.47 g/mol
Exact Mass532.97
IUPAC NameN-[[4-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C19H17Cl2N3O5S3/c1-12(25)22-11-13-4-6-14(7-5-13)31(26,27)23-17-9-15(20)16(21)10-18(17)24-32(28,29)19-3-2-8-30-19/h2-10,23-24H,11H2,1H3,(H,22,25)
InChIKeyFYIUUCKAHZEKOT-UHFFFAOYSA-N
XLogP4.29
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.47
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]phenyl]methyl]hexadecanamide
CID 90313060
3-[4-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]phenyl]propanoic acid
CID 67970147
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-[[4-(4-fluorophenyl)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970465
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-(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
5-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]furan-3-carboxylic acid
CID 118090946
N-[(4-chlorophenyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55786642
N-[4,5-dichloro-2-[(2-hydroxy-5-methoxyphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 118101197

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]phenyl]methyl]acetamide?
The IUPAC name of N-[[4-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]phenyl]methyl]acetamide (CID 67970395) is N-[[4-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]phenyl]methyl]acetamide is CC(=O)NCc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2NS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-[[4-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]phenyl]methyl]acetamide?
The InChIKey is FYIUUCKAHZEKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O5S3/c1-12(25)22-11-13-4-6-14(7-5-13)31(26,27)23-17-9-15(20)16(21)10-18(17)24-32(28,29)19-3-2-8-30-19/h2-10,23-24H,11H2,1H3,(H,22,25).
What are the key properties of N-[[4-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]phenyl]methyl]acetamide?
N-[[4-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]phenyl]methyl]acetamide has a molecular weight of 534.47 g/mol, XLogP of 4.29, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]phenyl]methyl]acetamide is sourced from PubChem (CID 67970395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).