1-(4-chlorophenyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]methanesulfonamide

C18H22ClNO2S2 — CID 30943309

IUPAC1-(4-chlorophenyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)cc1)NCC1(c2cccs2)CCCCC1
InChIInChI=1S/C18H22ClNO2S2/c19-16-8-6-15(7-9-16)13-24(21,22)20-14-18(10-2-1-3-11-18)17-5-4-12-23-17/h4-9,12,20H,1-3,10-11,13-14H2
InChIKeyUNVIVNZYHIZAHY-UHFFFAOYSA-N
MW383.97 g/mol
LogP4.72
Rot. Bonds6

About 1-(4-chlorophenyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]methanesulfonamide

1-(4-chlorophenyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]methanesulfonamide (PubChem CID 30943309) has the molecular formula C18H22ClNO2S2 and a molecular weight of 383.97 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]methanesulfonamide
PubChem CID30943309
Molecular FormulaC18H22ClNO2S2
Molecular Weight383.97 g/mol
Exact Mass383.08
IUPAC Name1-(4-chlorophenyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)cc1)NCC1(c2cccs2)CCCCC1
InChIInChI=1S/C18H22ClNO2S2/c19-16-8-6-15(7-9-16)13-24(21,22)20-14-18(10-2-1-3-11-18)17-5-4-12-23-17/h4-9,12,20H,1-3,10-11,13-14H2
InChIKeyUNVIVNZYHIZAHY-UHFFFAOYSA-N
XLogP4.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.97
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]methanesulfonamide (CID 30943309) is 1-(4-chlorophenyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]methanesulfonamide is O=S(=O)(Cc1ccc(Cl)cc1)NCC1(c2cccs2)CCCCC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]methanesulfonamide?
The InChIKey is UNVIVNZYHIZAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO2S2/c19-16-8-6-15(7-9-16)13-24(21,22)20-14-18(10-2-1-3-11-18)17-5-4-12-23-17/h4-9,12,20H,1-3,10-11,13-14H2.
What are the key properties of 1-(4-chlorophenyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]methanesulfonamide?
1-(4-chlorophenyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]methanesulfonamide has a molecular weight of 383.97 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]methanesulfonamide is sourced from PubChem (CID 30943309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).