4-chloro-N-(4-methyl-3-pyridinyl)butane-1-sulfonamide

C10H15ClN2O2S — CID 116816180

IUPAC4-chloro-N-(4-methyl-3-pyridinyl)butane-1-sulfonamide
SMILESCc1ccncc1NS(=O)(=O)CCCCCl
InChIInChI=1S/C10H15ClN2O2S/c1-9-4-6-12-8-10(9)13-16(14,15)7-3-2-5-11/h4,6,8,13H,2-3,5,7H2,1H3
InChIKeyNMELJDOHFXJHEK-UHFFFAOYSA-N
MW262.76 g/mol
LogP2.15
Rot. Bonds6

About 4-chloro-N-(4-methyl-3-pyridinyl)butane-1-sulfonamide

4-chloro-N-(4-methyl-3-pyridinyl)butane-1-sulfonamide (PubChem CID 116816180) has the molecular formula C10H15ClN2O2S and a molecular weight of 262.76 g/mol. Its IUPAC name is 4-chloro-N-(4-methyl-3-pyridinyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-(4-methyl-3-pyridinyl)butane-1-sulfonamide
PubChem CID116816180
Molecular FormulaC10H15ClN2O2S
Molecular Weight262.76 g/mol
Exact Mass262.05
IUPAC Name4-chloro-N-(4-methyl-3-pyridinyl)butane-1-sulfonamide
SMILESCc1ccncc1NS(=O)(=O)CCCCCl
InChIInChI=1S/C10H15ClN2O2S/c1-9-4-6-12-8-10(9)13-16(14,15)7-3-2-5-11/h4,6,8,13H,2-3,5,7H2,1H3
InChIKeyNMELJDOHFXJHEK-UHFFFAOYSA-N
XLogP2.15
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-methyl-3-pyridinyl)sulfamoyl]propanoic acid
CID 63327614
3-(methylamino)-N-(3-methyl-4-pyridinyl)propane-1-sulfonamide
CID 106065507
4-chloro-N-(5-methyl-2-pyridinyl)butane-1-sulfonamide
CID 116815095
3-chloro-N-(2,4-dimethylphenyl)propane-1-sulfonamide
CID 43654466
3-chloro-N-(8-methylquinolin-5-yl)propane-1-sulfonamide
CID 54877715
4-chloro-N-(6-fluoro-3-pyridinyl)butane-1-sulfonamide
CID 103080603
N-(2-bromo-5-chloro-4-methylphenyl)-4-chlorobutane-1-sulfonamide
CID 116816507
N-(4-bromo-5-fluoro-2-methylphenyl)-4-chlorobutane-1-sulfonamide
CID 116816604
4-chloro-N-quinolin-5-ylbutane-1-sulfonamide
CID 116814822
3-chloro-N-[2-methyl-5-(trifluoromethyl)phenyl]propane-1-sulfonamide
CID 66476430
3-chloro-N-(3-hydroxy-2,4-dimethylphenyl)propane-1-sulfonamide
CID 54877724
4-chloro-N-[2-(dimethylamino)phenyl]butane-1-sulfonamide
CID 116815712

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-methyl-3-pyridinyl)butane-1-sulfonamide?
The IUPAC name of 4-chloro-N-(4-methyl-3-pyridinyl)butane-1-sulfonamide (CID 116816180) is 4-chloro-N-(4-methyl-3-pyridinyl)butane-1-sulfonamide.
What is the SMILES notation for 4-chloro-N-(4-methyl-3-pyridinyl)butane-1-sulfonamide?
The canonical SMILES for 4-chloro-N-(4-methyl-3-pyridinyl)butane-1-sulfonamide is Cc1ccncc1NS(=O)(=O)CCCCCl.
What is the InChIKey of 4-chloro-N-(4-methyl-3-pyridinyl)butane-1-sulfonamide?
The InChIKey is NMELJDOHFXJHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2S/c1-9-4-6-12-8-10(9)13-16(14,15)7-3-2-5-11/h4,6,8,13H,2-3,5,7H2,1H3.
What are the key properties of 4-chloro-N-(4-methyl-3-pyridinyl)butane-1-sulfonamide?
4-chloro-N-(4-methyl-3-pyridinyl)butane-1-sulfonamide has a molecular weight of 262.76 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-methyl-3-pyridinyl)butane-1-sulfonamide is sourced from PubChem (CID 116816180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).