N-methyl-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide

C11H12N2O2S2 — CID 47020933

IUPACN-methyl-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
SMILESCN(Cc1ccncc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C11H12N2O2S2/c1-13(9-10-4-6-12-7-5-10)17(14,15)11-3-2-8-16-11/h2-8H,9H2,1H3
InChIKeyJMOZNZVWQGOSJN-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.96
Rot. Bonds4

About N-methyl-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide

N-methyl-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide (PubChem CID 47020933) has the molecular formula C11H12N2O2S2 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-methyl-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
PubChem CID47020933
Molecular FormulaC11H12N2O2S2
Molecular Weight268.36 g/mol
Exact Mass268.03
IUPAC NameN-methyl-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
SMILESCN(Cc1ccncc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C11H12N2O2S2/c1-13(9-10-4-6-12-7-5-10)17(14,15)11-3-2-8-16-11/h2-8H,9H2,1H3
InChIKeyJMOZNZVWQGOSJN-UHFFFAOYSA-N
XLogP1.96
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[methyl(thiophen-2-ylsulfonyl)amino]methyl]benzoic acid
CID 60750528
N-ethyl-N-methylthiophene-2-sulfonamide;hydrochloride
CID 130616398
4-[methyl(thiophen-2-ylsulfonyl)amino]-N-(pyridin-4-ylmethyl)butanamide
CID 18136265
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
CID 47454541
N-[(2-ethoxy-3-pyridinyl)methyl]-N-methylthiophene-2-sulfonamide
CID 53184966
N-[(2-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 2531281
2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 43420461
N-[(5-bromothiophen-2-yl)methyl]-N-methylthiophene-2-sulfonamide
CID 9302453
N-butyl-N-methylthiophene-2-sulfonamide
CID 4992196
N-(dimethylsulfamoyl)-N-methyl-1-pyridin-4-ylmethanamine
CID 110724815
N-[(3,5-dichloro-2-pyridinyl)methyl]-N-methylthiophene-2-sulfonamide
CID 84596338
N-(2-chloropropyl)-N-methylthiophene-2-sulfonamide
CID 63397170

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of N-methyl-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide (CID 47020933) is N-methyl-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-methyl-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-methyl-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide is CN(Cc1ccncc1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-methyl-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is JMOZNZVWQGOSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S2/c1-13(9-10-4-6-12-7-5-10)17(14,15)11-3-2-8-16-11/h2-8H,9H2,1H3.
What are the key properties of N-methyl-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide?
N-methyl-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 268.36 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 47020933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).