4-chloro-N-(5-methyl-2-pyridinyl)butane-1-sulfonamide

C10H15ClN2O2S — CID 116815095

IUPAC4-chloro-N-(5-methyl-2-pyridinyl)butane-1-sulfonamide
SMILESCc1ccc(NS(=O)(=O)CCCCCl)nc1
InChIInChI=1S/C10H15ClN2O2S/c1-9-4-5-10(12-8-9)13-16(14,15)7-3-2-6-11/h4-5,8H,2-3,6-7H2,1H3,(H,12,13)
InChIKeyMVQQGSSGHTWGLR-UHFFFAOYSA-N
MW262.76 g/mol
LogP2.15
Rot. Bonds6

About 4-chloro-N-(5-methyl-2-pyridinyl)butane-1-sulfonamide

4-chloro-N-(5-methyl-2-pyridinyl)butane-1-sulfonamide (PubChem CID 116815095) has the molecular formula C10H15ClN2O2S and a molecular weight of 262.76 g/mol. Its IUPAC name is 4-chloro-N-(5-methyl-2-pyridinyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-(5-methyl-2-pyridinyl)butane-1-sulfonamide
PubChem CID116815095
Molecular FormulaC10H15ClN2O2S
Molecular Weight262.76 g/mol
Exact Mass262.05
IUPAC Name4-chloro-N-(5-methyl-2-pyridinyl)butane-1-sulfonamide
SMILESCc1ccc(NS(=O)(=O)CCCCCl)nc1
InChIInChI=1S/C10H15ClN2O2S/c1-9-4-5-10(12-8-9)13-16(14,15)7-3-2-6-11/h4-5,8H,2-3,6-7H2,1H3,(H,12,13)
InChIKeyMVQQGSSGHTWGLR-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-chloro-N-(5-fluoro-2-pyridinyl)propane-1-sulfonamide
CID 65482273
4-chloro-N-(5-methyl-1H-pyrazol-3-yl)butane-1-sulfonamide
CID 116816196
1-(2-chlorophenyl)-N-(5-methyl-2-pyridinyl)methanesulfonamide
CID 75538969
N-(4-chlorobutyl)-5-methylpyridin-2-amine
CID 106845125
4-(chloromethyl)-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 114279681
4-chloro-N-(4-methyl-3-pyridinyl)butane-1-sulfonamide
CID 116816180
N-[5-(4-methylanilino)-2-pyridinyl]propane-1-sulfonamide
CID 113031592
sodium N-(5-methyl-2-pyridinyl)sulfamate
CID 102006544
4-chloro-N-(3-methylphenyl)butane-1-sulfonamide
CID 116815142
1-(4-cyanophenyl)-N-(5-methyl-2-pyridinyl)methanesulfonamide
CID 29041806
4-chloro-N-[4-(methanesulfonamido)phenyl]butane-1-sulfonamide
CID 116815007
3-chloro-N-(2,4-dimethylphenyl)propane-1-sulfonamide
CID 43654466

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-methyl-2-pyridinyl)butane-1-sulfonamide?
The IUPAC name of 4-chloro-N-(5-methyl-2-pyridinyl)butane-1-sulfonamide (CID 116815095) is 4-chloro-N-(5-methyl-2-pyridinyl)butane-1-sulfonamide.
What is the SMILES notation for 4-chloro-N-(5-methyl-2-pyridinyl)butane-1-sulfonamide?
The canonical SMILES for 4-chloro-N-(5-methyl-2-pyridinyl)butane-1-sulfonamide is Cc1ccc(NS(=O)(=O)CCCCCl)nc1.
What is the InChIKey of 4-chloro-N-(5-methyl-2-pyridinyl)butane-1-sulfonamide?
The InChIKey is MVQQGSSGHTWGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2S/c1-9-4-5-10(12-8-9)13-16(14,15)7-3-2-6-11/h4-5,8H,2-3,6-7H2,1H3,(H,12,13).
What are the key properties of 4-chloro-N-(5-methyl-2-pyridinyl)butane-1-sulfonamide?
4-chloro-N-(5-methyl-2-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-(5-methyl-2-pyridinyl)butane-1-sulfonamide is sourced from PubChem (CID 116815095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).