5-chloro-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide

C11H17ClN2O2S2 — CID 79716907

IUPAC5-chloro-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide
SMILESCN(CC1CCNCC1)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H17ClN2O2S2/c1-14(8-9-4-6-13-7-5-9)18(15,16)11-3-2-10(12)17-11/h2-3,9,13H,4-8H2,1H3
InChIKeySGAWAROQMRYBPW-UHFFFAOYSA-N
MW308.86 g/mol
LogP2.02
Rot. Bonds4

About 5-chloro-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide

5-chloro-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide (PubChem CID 79716907) has the molecular formula C11H17ClN2O2S2 and a molecular weight of 308.86 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide
PubChem CID79716907
Molecular FormulaC11H17ClN2O2S2
Molecular Weight308.86 g/mol
Exact Mass308.04
IUPAC Name5-chloro-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide
SMILESCN(CC1CCNCC1)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H17ClN2O2S2/c1-14(8-9-4-6-13-7-5-9)18(15,16)11-3-2-10(12)17-11/h2-3,9,13H,4-8H2,1H3
InChIKeySGAWAROQMRYBPW-UHFFFAOYSA-N
XLogP2.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.86
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide;hydrochloride
CID 71642494
5-cyano-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide
CID 106272948
5-chloro-N-methyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide;hydrochloride
CID 119978813
5-chloro-N-ethyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide
CID 55206101
5-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide;hydrochloride
CID 119401193
5-bromo-N-(cyclopentylmethyl)-N-methylthiophene-2-sulfonamide
CID 62067638
5-chloro-N-[(1S)-2-hydroxy-1-piperidin-4-ylethyl]thiophene-2-sulfonamide
CID 44571804
N-cyclopropyl-5-ethyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide
CID 79702302
N-(3-aminopropyl)-5-chloro-N-methylthiophene-2-sulfonamide
CID 96667362
N-(3-bromopropyl)-5-chloro-N-methylthiophene-2-sulfonamide
CID 106441802
5-chloro-N-piperidin-4-ylthiophene-2-sulfonamide
CID 28811036
5-chloro-N-(2-methoxyethyl)-N-methylthiophene-2-sulfonamide
CID 74225766

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide (CID 79716907) is 5-chloro-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide is CN(CC1CCNCC1)S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is SGAWAROQMRYBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2S2/c1-14(8-9-4-6-13-7-5-9)18(15,16)11-3-2-10(12)17-11/h2-3,9,13H,4-8H2,1H3.
What are the key properties of 5-chloro-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide?
5-chloro-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 308.86 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 79716907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).