5-chloro-N-(3-hydroxybutyl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide

C10H15ClN2O4S — CID 113499786

IUPAC5-chloro-N-(3-hydroxybutyl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide
SMILESCC(O)CCN(C)S(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C10H15ClN2O4S/c1-7(14)3-4-13(2)18(16,17)8-5-9(11)10(15)12-6-8/h5-7,14H,3-4H2,1-2H3,(H,12,15)
InChIKeyFIVRFWPTJLBWPM-UHFFFAOYSA-N
MW294.76 g/mol
LogP0.42
Rot. Bonds5

About 5-chloro-N-(3-hydroxybutyl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide

5-chloro-N-(3-hydroxybutyl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 113499786) has the molecular formula C10H15ClN2O4S and a molecular weight of 294.76 g/mol. Its IUPAC name is 5-chloro-N-(3-hydroxybutyl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(3-hydroxybutyl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID113499786
Molecular FormulaC10H15ClN2O4S
Molecular Weight294.76 g/mol
Exact Mass294.04
IUPAC Name5-chloro-N-(3-hydroxybutyl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide
SMILESCC(O)CCN(C)S(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C10H15ClN2O4S/c1-7(14)3-4-13(2)18(16,17)8-5-9(11)10(15)12-6-8/h5-7,14H,3-4H2,1-2H3,(H,12,15)
InChIKeyFIVRFWPTJLBWPM-UHFFFAOYSA-N
XLogP0.42
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-methyl-6-oxo-N-pentan-2-yl-1H-pyridine-3-sulfonamide
CID 64608066
5-chloro-N,N-dimethyl-6-oxo-1H-pyridine-3-sulfonamide
CID 64608442
5-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-oxo-1H-pyridine-3-sulfonamide
CID 102995739
methyl 2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonyl-propan-2-ylamino]acetate
CID 64606547
5-chloro-N-[(3S)-3-hydroxybutyl]-N-methyl-6-(2-methylpropylamino)pyridine-3-sulfonamide
CID 164640112
5-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64608264
5-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64606757
N-(3-hydroxybutyl)-4-iodo-N-methylbenzenesulfonamide
CID 113320165
5-chloro-N-ethyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide
CID 64607138
5-chloro-N-(4-hydroxybutan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 83186740
5-chloro-N-(4-ethylphenyl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide
CID 64607143
5-chloro-N-(4-hydroxy-2-methylbutyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 66107588

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-hydroxybutyl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-(3-hydroxybutyl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide (CID 113499786) is 5-chloro-N-(3-hydroxybutyl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-(3-hydroxybutyl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-(3-hydroxybutyl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide is CC(O)CCN(C)S(=O)(=O)c1c[nH]c(=O)c(Cl)c1.
What is the InChIKey of 5-chloro-N-(3-hydroxybutyl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is FIVRFWPTJLBWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O4S/c1-7(14)3-4-13(2)18(16,17)8-5-9(11)10(15)12-6-8/h5-7,14H,3-4H2,1-2H3,(H,12,15).
What are the key properties of 5-chloro-N-(3-hydroxybutyl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide?
5-chloro-N-(3-hydroxybutyl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 294.76 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-hydroxybutyl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 113499786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).