5-chloro-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide

C18H14Cl2N2O4S2 — CID 34081958

IUPAC5-chloro-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(Cl)s2)cc1S(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H14Cl2N2O4S2/c1-26-14-7-6-13(21-18(23)15-8-9-17(20)27-15)10-16(14)28(24,25)22-12-4-2-11(19)3-5-12/h2-10,22H,1H3,(H,21,23)
InChIKeyHBHQPFKEIMVWRP-UHFFFAOYSA-N
MW457.36 g/mol
LogP5.12
Rot. Bonds6

About 5-chloro-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide

5-chloro-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide (PubChem CID 34081958) has the molecular formula C18H14Cl2N2O4S2 and a molecular weight of 457.36 g/mol. Its IUPAC name is 5-chloro-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide
PubChem CID34081958
Molecular FormulaC18H14Cl2N2O4S2
Molecular Weight457.36 g/mol
Exact Mass455.98
IUPAC Name5-chloro-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(Cl)s2)cc1S(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H14Cl2N2O4S2/c1-26-14-7-6-13(21-18(23)15-8-9-17(20)27-15)10-16(14)28(24,25)22-12-4-2-11(19)3-5-12/h2-10,22H,1H3,(H,21,23)
InChIKeyHBHQPFKEIMVWRP-UHFFFAOYSA-N
XLogP5.12
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.36
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]benzamide
CID 34081382
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-methylbutanamide
CID 9474134
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(trifluoromethyl)benzamide
CID 34081551
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 156859744
N-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide
CID 26875602
N-(4-chlorophenyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 41446937
2-chloro-4,5-difluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 26851594
N-[3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26952518
5-acetyl-N-(4-methoxy-3-sulfamoylphenyl)thiophene-2-carboxamide
CID 9088476
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-fluorophenyl)propanamide
CID 32749964
N-(4-chlorophenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 9267447
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26951683

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide (CID 34081958) is 5-chloro-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide is COc1ccc(NC(=O)c2ccc(Cl)s2)cc1S(=O)(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 5-chloro-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide?
The InChIKey is HBHQPFKEIMVWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O4S2/c1-26-14-7-6-13(21-18(23)15-8-9-17(20)27-15)10-16(14)28(24,25)22-12-4-2-11(19)3-5-12/h2-10,22H,1H3,(H,21,23).
What are the key properties of 5-chloro-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide?
5-chloro-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide has a molecular weight of 457.36 g/mol, XLogP of 5.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 34081958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).