5-(4-chlorophenyl)sulfonyl-N-cyclohexylthiophene-2-carboxamide

C17H18ClNO3S2 — CID 53124624

IUPAC5-(4-chlorophenyl)sulfonyl-N-cyclohexylthiophene-2-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C17H18ClNO3S2/c18-12-6-8-14(9-7-12)24(21,22)16-11-10-15(23-16)17(20)19-13-4-2-1-3-5-13/h6-11,13H,1-5H2,(H,19,20)
InChIKeyZLXGNCKWAGLPLG-UHFFFAOYSA-N
MW383.92 g/mol
LogP4.30
Rot. Bonds4

About 5-(4-chlorophenyl)sulfonyl-N-cyclohexylthiophene-2-carboxamide

5-(4-chlorophenyl)sulfonyl-N-cyclohexylthiophene-2-carboxamide (PubChem CID 53124624) has the molecular formula C17H18ClNO3S2 and a molecular weight of 383.92 g/mol. Its IUPAC name is 5-(4-chlorophenyl)sulfonyl-N-cyclohexylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)sulfonyl-N-cyclohexylthiophene-2-carboxamide
PubChem CID53124624
Molecular FormulaC17H18ClNO3S2
Molecular Weight383.92 g/mol
Exact Mass383.04
IUPAC Name5-(4-chlorophenyl)sulfonyl-N-cyclohexylthiophene-2-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C17H18ClNO3S2/c18-12-6-8-14(9-7-12)24(21,22)16-11-10-15(23-16)17(20)19-13-4-2-1-3-5-13/h6-11,13H,1-5H2,(H,19,20)
InChIKeyZLXGNCKWAGLPLG-UHFFFAOYSA-N
XLogP4.30
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)sulfonyl-N-cyclohexylthiophene-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)sulfonyl-N-cyclohexylthiophene-2-carboxamide (CID 53124624) is 5-(4-chlorophenyl)sulfonyl-N-cyclohexylthiophene-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)sulfonyl-N-cyclohexylthiophene-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)sulfonyl-N-cyclohexylthiophene-2-carboxamide is O=C(NC1CCCCC1)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)s1.
What is the InChIKey of 5-(4-chlorophenyl)sulfonyl-N-cyclohexylthiophene-2-carboxamide?
The InChIKey is ZLXGNCKWAGLPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3S2/c18-12-6-8-14(9-7-12)24(21,22)16-11-10-15(23-16)17(20)19-13-4-2-1-3-5-13/h6-11,13H,1-5H2,(H,19,20).
What are the key properties of 5-(4-chlorophenyl)sulfonyl-N-cyclohexylthiophene-2-carboxamide?
5-(4-chlorophenyl)sulfonyl-N-cyclohexylthiophene-2-carboxamide has a molecular weight of 383.92 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)sulfonyl-N-cyclohexylthiophene-2-carboxamide is sourced from PubChem (CID 53124624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).