4-chloro-N-[(3-methyl-2-pyridinyl)methyl]butane-1-sulfonamide

C11H17ClN2O2S — CID 116816179

IUPAC4-chloro-N-[(3-methyl-2-pyridinyl)methyl]butane-1-sulfonamide
SMILESCc1cccnc1CNS(=O)(=O)CCCCCl
InChIInChI=1S/C11H17ClN2O2S/c1-10-5-4-7-13-11(10)9-14-17(15,16)8-3-2-6-12/h4-5,7,14H,2-3,6,8-9H2,1H3
InChIKeyRNBPTLRGBGXISI-UHFFFAOYSA-N
MW276.79 g/mol
LogP1.83
Rot. Bonds7

About 4-chloro-N-[(3-methyl-2-pyridinyl)methyl]butane-1-sulfonamide

4-chloro-N-[(3-methyl-2-pyridinyl)methyl]butane-1-sulfonamide (PubChem CID 116816179) has the molecular formula C11H17ClN2O2S and a molecular weight of 276.79 g/mol. Its IUPAC name is 4-chloro-N-[(3-methyl-2-pyridinyl)methyl]butane-1-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(3-methyl-2-pyridinyl)methyl]butane-1-sulfonamide
PubChem CID116816179
Molecular FormulaC11H17ClN2O2S
Molecular Weight276.79 g/mol
Exact Mass276.07
IUPAC Name4-chloro-N-[(3-methyl-2-pyridinyl)methyl]butane-1-sulfonamide
SMILESCc1cccnc1CNS(=O)(=O)CCCCCl
InChIInChI=1S/C11H17ClN2O2S/c1-10-5-4-7-13-11(10)9-14-17(15,16)8-3-2-6-12/h4-5,7,14H,2-3,6,8-9H2,1H3
InChIKeyRNBPTLRGBGXISI-UHFFFAOYSA-N
XLogP1.83
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 51.83
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

N-[(3-methyl-2-pyridinyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide
CID 63309364
N-[(3-ethyl-2-pyridinyl)methyl]-4-(methylamino)butane-1-sulfonamide
CID 106076084
N-[(3-methyl-2-pyridinyl)methyl]-3-methylsulfonylpropan-1-amine
CID 63305984
N-benzyl-4-chlorobutane-1-sulfonamide
CID 116814854
N-[3-[(3-methyl-2-pyridinyl)methylamino]propyl]methanesulfonamide
CID 106336628
2-[(3-methyl-2-pyridinyl)methylamino]ethanesulfonamide
CID 114385023
4-[(3-ethyl-2-pyridinyl)methylsulfamoyl]butanoic acid
CID 82731751
4-methyl-2-(methylaminomethyl)-N-[(3-methyl-2-pyridinyl)methyl]thiophene-3-sulfonamide
CID 106065592
4-chloro-N-[(1-methylpyrrol-2-yl)methyl]butane-1-sulfonamide
CID 105055848
3-chloro-N-(8-methylquinolin-5-yl)propane-1-sulfonamide
CID 54877715
4-chloro-N-(6-chloro-8-methylquinolin-5-yl)butane-1-sulfonamide
CID 116815533
3-amino-5-chloro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 114379607

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3-methyl-2-pyridinyl)methyl]butane-1-sulfonamide?
The IUPAC name of 4-chloro-N-[(3-methyl-2-pyridinyl)methyl]butane-1-sulfonamide (CID 116816179) is 4-chloro-N-[(3-methyl-2-pyridinyl)methyl]butane-1-sulfonamide.
What is the SMILES notation for 4-chloro-N-[(3-methyl-2-pyridinyl)methyl]butane-1-sulfonamide?
The canonical SMILES for 4-chloro-N-[(3-methyl-2-pyridinyl)methyl]butane-1-sulfonamide is Cc1cccnc1CNS(=O)(=O)CCCCCl.
What is the InChIKey of 4-chloro-N-[(3-methyl-2-pyridinyl)methyl]butane-1-sulfonamide?
The InChIKey is RNBPTLRGBGXISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2S/c1-10-5-4-7-13-11(10)9-14-17(15,16)8-3-2-6-12/h4-5,7,14H,2-3,6,8-9H2,1H3.
What are the key properties of 4-chloro-N-[(3-methyl-2-pyridinyl)methyl]butane-1-sulfonamide?
4-chloro-N-[(3-methyl-2-pyridinyl)methyl]butane-1-sulfonamide has a molecular weight of 276.79 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3-methyl-2-pyridinyl)methyl]butane-1-sulfonamide is sourced from PubChem (CID 116816179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).