N-[(1-methyl-6-oxo-3-pyridinyl)methyl]thiophene-2-sulfonamide

C11H12N2O3S2 — CID 110730606

IUPACN-[(1-methyl-6-oxo-3-pyridinyl)methyl]thiophene-2-sulfonamide
SMILESCn1cc(CNS(=O)(=O)c2cccs2)ccc1=O
InChIInChI=1S/C11H12N2O3S2/c1-13-8-9(4-5-10(13)14)7-12-18(15,16)11-3-2-6-17-11/h2-6,8,12H,7H2,1H3
InChIKeyKQCVJFYLDDBXDZ-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.93
Rot. Bonds4

About N-[(1-methyl-6-oxo-3-pyridinyl)methyl]thiophene-2-sulfonamide

N-[(1-methyl-6-oxo-3-pyridinyl)methyl]thiophene-2-sulfonamide (PubChem CID 110730606) has the molecular formula C11H12N2O3S2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[(1-methyl-6-oxo-3-pyridinyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(1-methyl-6-oxo-3-pyridinyl)methyl]thiophene-2-sulfonamide
PubChem CID110730606
Molecular FormulaC11H12N2O3S2
Molecular Weight284.36 g/mol
Exact Mass284.03
IUPAC NameN-[(1-methyl-6-oxo-3-pyridinyl)methyl]thiophene-2-sulfonamide
SMILESCn1cc(CNS(=O)(=O)c2cccs2)ccc1=O
InChIInChI=1S/C11H12N2O3S2/c1-13-8-9(4-5-10(13)14)7-12-18(15,16)11-3-2-6-17-11/h2-6,8,12H,7H2,1H3
InChIKeyKQCVJFYLDDBXDZ-UHFFFAOYSA-N
XLogP0.93
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]thiophene-2-sulfonamide
CID 110781511
N-[(1-methyl-6-oxo-3-pyridinyl)methyl]-4-propan-2-ylbenzenesulfonamide
CID 110730591
2,5-dimethyl-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]benzenesulfonamide
CID 110730588
N-[(3,4,5-trifluorophenyl)methyl]thiophene-2-sulfonamide
CID 3807214
N-[(4-pyrazol-1-ylphenyl)methyl]thiophene-2-sulfonamide
CID 22205170
N-[(3-chloro-4-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 110780125
N-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methyl]thiophene-2-sulfonamide
CID 138673339
N-[[3-(chloromethyl)phenyl]methyl]thiophene-2-sulfonamide
CID 65032752
N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]thiophene-2-sulfonamide
CID 110666144
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide
CID 3271736
1-(2-chlorophenyl)-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]methanesulfonamide
CID 110730618
N-[(1-methyl-6-oxo-3-pyridinyl)methyl]-1,3-benzodioxole-5-sulfonamide
CID 110730602

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-6-oxo-3-pyridinyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[(1-methyl-6-oxo-3-pyridinyl)methyl]thiophene-2-sulfonamide (CID 110730606) is N-[(1-methyl-6-oxo-3-pyridinyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(1-methyl-6-oxo-3-pyridinyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(1-methyl-6-oxo-3-pyridinyl)methyl]thiophene-2-sulfonamide is Cn1cc(CNS(=O)(=O)c2cccs2)ccc1=O.
What is the InChIKey of N-[(1-methyl-6-oxo-3-pyridinyl)methyl]thiophene-2-sulfonamide?
The InChIKey is KQCVJFYLDDBXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S2/c1-13-8-9(4-5-10(13)14)7-12-18(15,16)11-3-2-6-17-11/h2-6,8,12H,7H2,1H3.
What are the key properties of N-[(1-methyl-6-oxo-3-pyridinyl)methyl]thiophene-2-sulfonamide?
N-[(1-methyl-6-oxo-3-pyridinyl)methyl]thiophene-2-sulfonamide has a molecular weight of 284.36 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-6-oxo-3-pyridinyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110730606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).