N-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]thiophene-3-carboxamide

C17H12Cl2N2O3S2 — CID 51485408

IUPACN-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]thiophene-3-carboxamide
SMILESO=C(Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1)c1ccsc1
InChIInChI=1S/C17H12Cl2N2O3S2/c18-14-2-1-3-15(19)16(14)26(23,24)21-13-6-4-12(5-7-13)20-17(22)11-8-9-25-10-11/h1-10,21H,(H,20,22)
InChIKeyDNTUZGFDUFDCNM-UHFFFAOYSA-N
MW427.33 g/mol
LogP5.11
Rot. Bonds5

About N-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]thiophene-3-carboxamide

N-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]thiophene-3-carboxamide (PubChem CID 51485408) has the molecular formula C17H12Cl2N2O3S2 and a molecular weight of 427.33 g/mol. Its IUPAC name is N-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]thiophene-3-carboxamide
PubChem CID51485408
Molecular FormulaC17H12Cl2N2O3S2
Molecular Weight427.33 g/mol
Exact Mass425.97
IUPAC NameN-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]thiophene-3-carboxamide
SMILESO=C(Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1)c1ccsc1
InChIInChI=1S/C17H12Cl2N2O3S2/c18-14-2-1-3-15(19)16(14)26(23,24)21-13-6-4-12(5-7-13)20-17(22)11-8-9-25-10-11/h1-10,21H,(H,20,22)
InChIKeyDNTUZGFDUFDCNM-UHFFFAOYSA-N
XLogP5.11
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.33
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(sulfamoylamino)phenyl]thiophene-3-carboxamide
CID 60728385
N-(4-amino-3-chlorophenyl)thiophene-3-carboxamide
CID 82862106
2-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]acetate
CID 7042035
N-(4-carbamoyl-3-chlorophenyl)thiophene-3-carboxamide
CID 39170420
N-(3-sulfamoylphenyl)thiophene-3-carboxamide
CID 60656415
2,6-dichloro-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 5089316
N-(3-carbamoylphenyl)thiophene-3-carboxamide
CID 17015852
N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]thiophene-3-carboxamide
CID 24711478
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]thiophene-3-carboxamide
CID 30484505
N-(3-chlorophenyl)-2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carboxamide
CID 71788372
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 126412707
N-pyrimidin-5-ylthiophene-3-carboxamide
CID 91557121

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]thiophene-3-carboxamide?
The IUPAC name of N-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]thiophene-3-carboxamide (CID 51485408) is N-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]thiophene-3-carboxamide?
The canonical SMILES for N-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]thiophene-3-carboxamide is O=C(Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1)c1ccsc1.
What is the InChIKey of N-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]thiophene-3-carboxamide?
The InChIKey is DNTUZGFDUFDCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O3S2/c18-14-2-1-3-15(19)16(14)26(23,24)21-13-6-4-12(5-7-13)20-17(22)11-8-9-25-10-11/h1-10,21H,(H,20,22).
What are the key properties of N-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]thiophene-3-carboxamide?
N-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]thiophene-3-carboxamide has a molecular weight of 427.33 g/mol, XLogP of 5.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 51485408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).