N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(methylamino)pyridine-3-sulfonamide

C12H14ClN3O2S2 — CID 62159075

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ncccc1S(=O)(=O)N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C12H14ClN3O2S2/c1-14-12-10(4-3-7-15-12)20(17,18)16(2)8-9-5-6-11(13)19-9/h3-7H,8H2,1-2H3,(H,14,15)
InChIKeyPMUHEFZUIREKHA-UHFFFAOYSA-N
MW331.85 g/mol
LogP2.66
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(methylamino)pyridine-3-sulfonamide

N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(methylamino)pyridine-3-sulfonamide (PubChem CID 62159075) has the molecular formula C12H14ClN3O2S2 and a molecular weight of 331.85 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(methylamino)pyridine-3-sulfonamide
PubChem CID62159075
Molecular FormulaC12H14ClN3O2S2
Molecular Weight331.85 g/mol
Exact Mass331.02
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ncccc1S(=O)(=O)N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C12H14ClN3O2S2/c1-14-12-10(4-3-7-15-12)20(17,18)16(2)8-9-5-6-11(13)19-9/h3-7H,8H2,1-2H3,(H,14,15)
InChIKeyPMUHEFZUIREKHA-UHFFFAOYSA-N
XLogP2.66
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide
CID 62147367
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridine-2-sulfonamide
CID 103305076
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide
CID 64518142
N-butyl-N-methyl-2-(methylamino)pyridine-3-sulfonamide
CID 62162650
3-[(5-chlorothiophen-2-yl)methyl-methylsulfamoyl]thiophene-2-carboxylic acid
CID 60709103
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-hydroxy-2-pyridinyl)acetamide
CID 30160286
N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide
CID 62152806
4-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzenesulfonamide
CID 54978657
5-amino-N-[(5-chlorothiophen-2-yl)methyl]-2,4-difluoro-N-methylbenzenesulfonamide
CID 61125967
N-methyl-2-(methylamino)-N-(1-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide
CID 112664021
2-(methylamino)pyridine-3-sulfonic acid
CID 15595252
2-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 62149939

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(methylamino)pyridine-3-sulfonamide (CID 62159075) is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(methylamino)pyridine-3-sulfonamide is CNc1ncccc1S(=O)(=O)N(C)Cc1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(methylamino)pyridine-3-sulfonamide?
The InChIKey is PMUHEFZUIREKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2S2/c1-14-12-10(4-3-7-15-12)20(17,18)16(2)8-9-5-6-11(13)19-9/h3-7H,8H2,1-2H3,(H,14,15).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(methylamino)pyridine-3-sulfonamide?
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(methylamino)pyridine-3-sulfonamide has a molecular weight of 331.85 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 62159075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).