3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridine-2-sulfonamide

C11H12ClN3O2S2 — CID 103305076

IUPAC3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridine-2-sulfonamide
SMILESCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ncccc1N
InChIInChI=1S/C11H12ClN3O2S2/c1-15(7-8-4-5-10(12)18-8)19(16,17)11-9(13)3-2-6-14-11/h2-6H,7,13H2,1H3
InChIKeyNQUGTGDESAISNP-UHFFFAOYSA-N
MW317.82 g/mol
LogP2.20
Rot. Bonds4

About 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridine-2-sulfonamide

3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridine-2-sulfonamide (PubChem CID 103305076) has the molecular formula C11H12ClN3O2S2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridine-2-sulfonamide.

Molecular Properties

Compound Name3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridine-2-sulfonamide
PubChem CID103305076
Molecular FormulaC11H12ClN3O2S2
Molecular Weight317.82 g/mol
Exact Mass317.01
IUPAC Name3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridine-2-sulfonamide
SMILESCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ncccc1N
InChIInChI=1S/C11H12ClN3O2S2/c1-15(7-8-4-5-10(12)18-8)19(16,17)11-9(13)3-2-6-14-11/h2-6H,7,13H2,1H3
InChIKeyNQUGTGDESAISNP-UHFFFAOYSA-N
XLogP2.20
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(methylamino)pyridine-3-sulfonamide
CID 62159075
4-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzenesulfonamide
CID 54978657
3-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-sulfonamide
CID 103306091
3-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-sulfonamide
CID 103306233
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 61125776
5-amino-N-[(5-chlorothiophen-2-yl)methyl]-2,4-difluoro-N-methylbenzenesulfonamide
CID 61125967
3-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-sulfonamide
CID 103305507
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-N,5-dimethylbenzenesulfonamide
CID 115421383
5-(2-aminoethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylthiophene-2-sulfonamide
CID 61439859
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzenesulfonamide
CID 61126736
N-[(5-chlorothiophen-2-yl)methyl]-3,4-difluoro-N-methylbenzenesulfonamide
CID 9302132
N-[(5-chlorothiophen-2-yl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60716009

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridine-2-sulfonamide?
The IUPAC name of 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridine-2-sulfonamide (CID 103305076) is 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridine-2-sulfonamide.
What is the SMILES notation for 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridine-2-sulfonamide?
The canonical SMILES for 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridine-2-sulfonamide is CN(Cc1ccc(Cl)s1)S(=O)(=O)c1ncccc1N.
What is the InChIKey of 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridine-2-sulfonamide?
The InChIKey is NQUGTGDESAISNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2S2/c1-15(7-8-4-5-10(12)18-8)19(16,17)11-9(13)3-2-6-14-11/h2-6H,7,13H2,1H3.
What are the key properties of 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridine-2-sulfonamide?
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridine-2-sulfonamide has a molecular weight of 317.82 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridine-2-sulfonamide is sourced from PubChem (CID 103305076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).