2,5-dichloro-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]thiophene-3-carboxamide

C17H11Cl3N2O3S2 — CID 26720210

IUPAC2,5-dichloro-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]thiophene-3-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1cc(Cl)sc1Cl
InChIInChI=1S/C17H11Cl3N2O3S2/c18-10-4-6-11(7-5-10)22-27(24,25)13-3-1-2-12(8-13)21-17(23)14-9-15(19)26-16(14)20/h1-9,22H,(H,21,23)
InChIKeyZEVOVYTUNIITGS-UHFFFAOYSA-N
MW461.78 g/mol
LogP5.76
Rot. Bonds5

About 2,5-dichloro-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]thiophene-3-carboxamide

2,5-dichloro-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]thiophene-3-carboxamide (PubChem CID 26720210) has the molecular formula C17H11Cl3N2O3S2 and a molecular weight of 461.78 g/mol. Its IUPAC name is 2,5-dichloro-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]thiophene-3-carboxamide
PubChem CID26720210
Molecular FormulaC17H11Cl3N2O3S2
Molecular Weight461.78 g/mol
Exact Mass459.93
IUPAC Name2,5-dichloro-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]thiophene-3-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1cc(Cl)sc1Cl
InChIInChI=1S/C17H11Cl3N2O3S2/c18-10-4-6-11(7-5-10)22-27(24,25)13-3-1-2-12(8-13)21-17(23)14-9-15(19)26-16(14)20/h1-9,22H,(H,21,23)
InChIKeyZEVOVYTUNIITGS-UHFFFAOYSA-N
XLogP5.76
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.78
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetamido-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]benzamide
CID 26592920
N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 51162183
N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-propan-2-ylsulfonylpropanamide
CID 55965472
2,5-dichloro-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]benzamide
CID 26593136
3-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 889559
N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-4-(1,3-oxazol-5-yl)benzamide
CID 55819813
5-(benzenesulfonamido)-2-chloro-N-(3-chlorophenyl)benzamide
CID 92674550
N-(4-bromophenyl)-3-[(4-chlorophenyl)sulfamoyl]benzamide
CID 1087366
2,5-dichloro-N-[3-(hydroxymethyl)phenyl]thiophene-3-carboxamide
CID 103605214
N-[4-(benzenesulfonamido)phenyl]-2,4-dichlorobenzamide
CID 2311784
N-(4-acetylphenyl)-3-[(4-chlorophenyl)sulfamoyl]benzamide
CID 26663686
N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-phenoxyacetamide
CID 26592931

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]thiophene-3-carboxamide (CID 26720210) is 2,5-dichloro-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]thiophene-3-carboxamide is O=C(Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]thiophene-3-carboxamide?
The InChIKey is ZEVOVYTUNIITGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl3N2O3S2/c18-10-4-6-11(7-5-10)22-27(24,25)13-3-1-2-12(8-13)21-17(23)14-9-15(19)26-16(14)20/h1-9,22H,(H,21,23).
What are the key properties of 2,5-dichloro-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]thiophene-3-carboxamide?
2,5-dichloro-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]thiophene-3-carboxamide has a molecular weight of 461.78 g/mol, XLogP of 5.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 26720210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).