N-cyclohexyl-N-methyl-5-pyridin-2-ylthiophene-2-sulfonamide

C16H20N2O2S2 — CID 2813897

IUPACN-cyclohexyl-N-methyl-5-pyridin-2-ylthiophene-2-sulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(-c2ccccn2)s1
InChIInChI=1S/C16H20N2O2S2/c1-18(13-7-3-2-4-8-13)22(19,20)16-11-10-15(21-16)14-9-5-6-12-17-14/h5-6,9-13H,2-4,7-8H2,1H3
InChIKeyZOXPTDZGTVHLDO-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.76
Rot. Bonds4

About N-cyclohexyl-N-methyl-5-pyridin-2-ylthiophene-2-sulfonamide

N-cyclohexyl-N-methyl-5-pyridin-2-ylthiophene-2-sulfonamide (PubChem CID 2813897) has the molecular formula C16H20N2O2S2 and a molecular weight of 336.48 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-5-pyridin-2-ylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-5-pyridin-2-ylthiophene-2-sulfonamide
PubChem CID2813897
Molecular FormulaC16H20N2O2S2
Molecular Weight336.48 g/mol
Exact Mass336.10
IUPAC NameN-cyclohexyl-N-methyl-5-pyridin-2-ylthiophene-2-sulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(-c2ccccn2)s1
InChIInChI=1S/C16H20N2O2S2/c1-18(13-7-3-2-4-8-13)22(19,20)16-11-10-15(21-16)14-9-5-6-12-17-14/h5-6,9-13H,2-4,7-8H2,1H3
InChIKeyZOXPTDZGTVHLDO-UHFFFAOYSA-N
XLogP3.76
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-5-pyridin-2-ylthiophene-2-sulfonamide?
The IUPAC name of N-cyclohexyl-N-methyl-5-pyridin-2-ylthiophene-2-sulfonamide (CID 2813897) is N-cyclohexyl-N-methyl-5-pyridin-2-ylthiophene-2-sulfonamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-5-pyridin-2-ylthiophene-2-sulfonamide?
The canonical SMILES for N-cyclohexyl-N-methyl-5-pyridin-2-ylthiophene-2-sulfonamide is CN(C1CCCCC1)S(=O)(=O)c1ccc(-c2ccccn2)s1.
What is the InChIKey of N-cyclohexyl-N-methyl-5-pyridin-2-ylthiophene-2-sulfonamide?
The InChIKey is ZOXPTDZGTVHLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S2/c1-18(13-7-3-2-4-8-13)22(19,20)16-11-10-15(21-16)14-9-5-6-12-17-14/h5-6,9-13H,2-4,7-8H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-5-pyridin-2-ylthiophene-2-sulfonamide?
N-cyclohexyl-N-methyl-5-pyridin-2-ylthiophene-2-sulfonamide has a molecular weight of 336.48 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-5-pyridin-2-ylthiophene-2-sulfonamide is sourced from PubChem (CID 2813897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).