3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)propane-1-sulfonamide

C10H15ClN2O3S — CID 54877695

IUPAC3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)propane-1-sulfonamide
SMILESCCn1cc(NS(=O)(=O)CCCCl)ccc1=O
InChIInChI=1S/C10H15ClN2O3S/c1-2-13-8-9(4-5-10(13)14)12-17(15,16)7-3-6-11/h4-5,8,12H,2-3,6-7H2,1H3
InChIKeyLUPUAIKHAVHSEU-UHFFFAOYSA-N
MW278.76 g/mol
LogP1.24
Rot. Bonds6

About 3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)propane-1-sulfonamide

3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)propane-1-sulfonamide (PubChem CID 54877695) has the molecular formula C10H15ClN2O3S and a molecular weight of 278.76 g/mol. Its IUPAC name is 3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)propane-1-sulfonamide
PubChem CID54877695
Molecular FormulaC10H15ClN2O3S
Molecular Weight278.76 g/mol
Exact Mass278.05
IUPAC Name3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)propane-1-sulfonamide
SMILESCCn1cc(NS(=O)(=O)CCCCl)ccc1=O
InChIInChI=1S/C10H15ClN2O3S/c1-2-13-8-9(4-5-10(13)14)12-17(15,16)7-3-6-11/h4-5,8,12H,2-3,6-7H2,1H3
InChIKeyLUPUAIKHAVHSEU-UHFFFAOYSA-N
XLogP1.24
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)ethanesulfonamide
CID 107651560
2-chloro-N-(6-oxo-1-propyl-3-pyridinyl)ethanesulfonamide
CID 107651563
2-[(1-ethyl-6-oxo-3-pyridinyl)sulfamoyl]acetic acid
CID 60932761
4-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)butanamide
CID 63307672
methyl 4-[(6-oxo-1-propyl-3-pyridinyl)sulfamoyl]butanoate
CID 61460257
3-chloro-N-[4-(dimethylamino)phenyl]propane-1-sulfonamide
CID 43654481
3-chloro-N-(4-pentylphenyl)propane-1-sulfonamide
CID 61250073
N-(4-butan-2-ylphenyl)-3-chloropropane-1-sulfonamide
CID 54877159
4-chloro-N-[4-(methanesulfonamido)phenyl]butane-1-sulfonamide
CID 116815007
3-chloro-N-[4-(4-ethylmorpholin-2-yl)phenyl]propane-1-sulfonamide
CID 24816324
5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64606352
2,4-dibromo-N-(1-ethyl-6-oxo-3-pyridinyl)benzenesulfonamide
CID 61216187

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)propane-1-sulfonamide (CID 54877695) is 3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)propane-1-sulfonamide is CCn1cc(NS(=O)(=O)CCCCl)ccc1=O.
What is the InChIKey of 3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)propane-1-sulfonamide?
The InChIKey is LUPUAIKHAVHSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O3S/c1-2-13-8-9(4-5-10(13)14)12-17(15,16)7-3-6-11/h4-5,8,12H,2-3,6-7H2,1H3.
What are the key properties of 3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)propane-1-sulfonamide?
3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)propane-1-sulfonamide has a molecular weight of 278.76 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)propane-1-sulfonamide is sourced from PubChem (CID 54877695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).