1-[(5-chlorothiadiazol-4-yl)methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide

C12H15ClN4O3S2 — CID 38867309

IUPAC1-[(5-chlorothiadiazol-4-yl)methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2nnsc2Cl)c1
InChIInChI=1S/C12H15ClN4O3S2/c1-3-17(4-2)22(19,20)9-5-6-11(18)16(7-9)8-10-12(13)21-15-14-10/h5-7H,3-4,8H2,1-2H3
InChIKeyYRSSYGAUMWWKEK-UHFFFAOYSA-N
MW362.86 g/mol
LogP1.43
Rot. Bonds6

About 1-[(5-chlorothiadiazol-4-yl)methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide

1-[(5-chlorothiadiazol-4-yl)methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide (PubChem CID 38867309) has the molecular formula C12H15ClN4O3S2 and a molecular weight of 362.86 g/mol. Its IUPAC name is 1-[(5-chlorothiadiazol-4-yl)methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide.

Molecular Properties

Compound Name1-[(5-chlorothiadiazol-4-yl)methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide
PubChem CID38867309
Molecular FormulaC12H15ClN4O3S2
Molecular Weight362.86 g/mol
Exact Mass362.03
IUPAC Name1-[(5-chlorothiadiazol-4-yl)methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2nnsc2Cl)c1
InChIInChI=1S/C12H15ClN4O3S2/c1-3-17(4-2)22(19,20)9-5-6-11(18)16(7-9)8-10-12(13)21-15-14-10/h5-7H,3-4,8H2,1-2H3
InChIKeyYRSSYGAUMWWKEK-UHFFFAOYSA-N
XLogP1.43
TPSA85.16 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(5-Chlorothiadiazol-4-yl)methyl]pyridin-2-one
CID 43407902
5-Bromo-1-[(5-chlorothiadiazol-4-yl)methyl]pyridin-2-one
CID 43408008
1-[(5-Chlorothiadiazol-4-yl)methyl]-6-methylpyridin-2-one
CID 60876232
1-[(5-Chlorothiadiazol-4-yl)methyl]-4-methylpyridin-2-one
CID 62962855
1-[(5-Chlorothiadiazol-4-yl)methyl]-3-methylpyridin-2-one
CID 63172775

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiadiazol-4-yl)methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide?
The IUPAC name of 1-[(5-chlorothiadiazol-4-yl)methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide (CID 38867309) is 1-[(5-chlorothiadiazol-4-yl)methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide.
What is the SMILES notation for 1-[(5-chlorothiadiazol-4-yl)methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide?
The canonical SMILES for 1-[(5-chlorothiadiazol-4-yl)methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2nnsc2Cl)c1.
What is the InChIKey of 1-[(5-chlorothiadiazol-4-yl)methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide?
The InChIKey is YRSSYGAUMWWKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O3S2/c1-3-17(4-2)22(19,20)9-5-6-11(18)16(7-9)8-10-12(13)21-15-14-10/h5-7H,3-4,8H2,1-2H3.
What are the key properties of 1-[(5-chlorothiadiazol-4-yl)methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide?
1-[(5-chlorothiadiazol-4-yl)methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide has a molecular weight of 362.86 g/mol, XLogP of 1.43, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiadiazol-4-yl)methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide is sourced from PubChem (CID 38867309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).