5-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)thiophene-2-carboxamide

C19H16ClNO4S2 — CID 53124643

IUPAC5-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)thiophene-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc(S(=O)(=O)c3ccc(Cl)cc3)s2)cc1
InChIInChI=1S/C19H16ClNO4S2/c1-2-25-15-7-5-14(6-8-15)21-19(22)17-11-12-18(26-17)27(23,24)16-9-3-13(20)4-10-16/h3-12H,2H2,1H3,(H,21,22)
InChIKeyVRWTVSUBNDQUJJ-UHFFFAOYSA-N
MW421.93 g/mol
LogP4.89
Rot. Bonds6

About 5-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)thiophene-2-carboxamide

5-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)thiophene-2-carboxamide (PubChem CID 53124643) has the molecular formula C19H16ClNO4S2 and a molecular weight of 421.93 g/mol. Its IUPAC name is 5-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)thiophene-2-carboxamide
PubChem CID53124643
Molecular FormulaC19H16ClNO4S2
Molecular Weight421.93 g/mol
Exact Mass421.02
IUPAC Name5-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)thiophene-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc(S(=O)(=O)c3ccc(Cl)cc3)s2)cc1
InChIInChI=1S/C19H16ClNO4S2/c1-2-25-15-7-5-14(6-8-15)21-19(22)17-11-12-18(26-17)27(23,24)16-9-3-13(20)4-10-16/h3-12H,2H2,1H3,(H,21,22)
InChIKeyVRWTVSUBNDQUJJ-UHFFFAOYSA-N
XLogP4.89
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.93
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)thiophene-2-carboxamide (CID 53124643) is 5-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)thiophene-2-carboxamide is CCOc1ccc(NC(=O)c2ccc(S(=O)(=O)c3ccc(Cl)cc3)s2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)thiophene-2-carboxamide?
The InChIKey is VRWTVSUBNDQUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO4S2/c1-2-25-15-7-5-14(6-8-15)21-19(22)17-11-12-18(26-17)27(23,24)16-9-3-13(20)4-10-16/h3-12H,2H2,1H3,(H,21,22).
What are the key properties of 5-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)thiophene-2-carboxamide?
5-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)thiophene-2-carboxamide has a molecular weight of 421.93 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 53124643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).