5-(benzenesulfonyl)-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide;hydrochloride

C17H21ClN2O3S2 — CID 119441510

IUPAC5-(benzenesulfonyl)-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide;hydrochloride
SMILESCN(C(=O)c1ccc(S(=O)(=O)c2ccccc2)s1)C1CCNCC1.Cl
InChIInChI=1S/C17H20N2O3S2.ClH/c1-19(13-9-11-18-12-10-13)17(20)15-7-8-16(23-15)24(21,22)14-5-3-2-4-6-14;/h2-8,13,18H,9-12H2,1H3;1H
InChIKeyKQKACHSAWUVQTR-UHFFFAOYSA-N
MW400.95 g/mol
LogP2.83
Rot. Bonds4

About 5-(benzenesulfonyl)-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide;hydrochloride

5-(benzenesulfonyl)-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide;hydrochloride (PubChem CID 119441510) has the molecular formula C17H21ClN2O3S2 and a molecular weight of 400.95 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-(benzenesulfonyl)-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide;hydrochloride
PubChem CID119441510
Molecular FormulaC17H21ClN2O3S2
Molecular Weight400.95 g/mol
Exact Mass400.07
IUPAC Name5-(benzenesulfonyl)-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide;hydrochloride
SMILESCN(C(=O)c1ccc(S(=O)(=O)c2ccccc2)s1)C1CCNCC1.Cl
InChIInChI=1S/C17H20N2O3S2.ClH/c1-19(13-9-11-18-12-10-13)17(20)15-7-8-16(23-15)24(21,22)14-5-3-2-4-6-14;/h2-8,13,18H,9-12H2,1H3;1H
InChIKeyKQKACHSAWUVQTR-UHFFFAOYSA-N
XLogP2.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.95
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide;hydrochloride?
The IUPAC name of 5-(benzenesulfonyl)-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide;hydrochloride (CID 119441510) is 5-(benzenesulfonyl)-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-(benzenesulfonyl)-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide;hydrochloride?
The canonical SMILES for 5-(benzenesulfonyl)-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide;hydrochloride is CN(C(=O)c1ccc(S(=O)(=O)c2ccccc2)s1)C1CCNCC1.Cl.
What is the InChIKey of 5-(benzenesulfonyl)-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide;hydrochloride?
The InChIKey is KQKACHSAWUVQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2.ClH/c1-19(13-9-11-18-12-10-13)17(20)15-7-8-16(23-15)24(21,22)14-5-3-2-4-6-14;/h2-8,13,18H,9-12H2,1H3;1H.
What are the key properties of 5-(benzenesulfonyl)-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide;hydrochloride?
5-(benzenesulfonyl)-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide;hydrochloride has a molecular weight of 400.95 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119441510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).