4-chloro-N-(6-chloro-8-methylquinolin-5-yl)butane-1-sulfonamide

C14H16Cl2N2O2S — CID 116815533

IUPAC4-chloro-N-(6-chloro-8-methylquinolin-5-yl)butane-1-sulfonamide
SMILESCc1cc(Cl)c(NS(=O)(=O)CCCCCl)c2cccnc12
InChIInChI=1S/C14H16Cl2N2O2S/c1-10-9-12(16)14(11-5-4-7-17-13(10)11)18-21(19,20)8-3-2-6-15/h4-5,7,9,18H,2-3,6,8H2,1H3
InChIKeyJABUKLZFWPGIBJ-UHFFFAOYSA-N
MW347.27 g/mol
LogP3.96
Rot. Bonds6

About 4-chloro-N-(6-chloro-8-methylquinolin-5-yl)butane-1-sulfonamide

4-chloro-N-(6-chloro-8-methylquinolin-5-yl)butane-1-sulfonamide (PubChem CID 116815533) has the molecular formula C14H16Cl2N2O2S and a molecular weight of 347.27 g/mol. Its IUPAC name is 4-chloro-N-(6-chloro-8-methylquinolin-5-yl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-(6-chloro-8-methylquinolin-5-yl)butane-1-sulfonamide
PubChem CID116815533
Molecular FormulaC14H16Cl2N2O2S
Molecular Weight347.27 g/mol
Exact Mass346.03
IUPAC Name4-chloro-N-(6-chloro-8-methylquinolin-5-yl)butane-1-sulfonamide
SMILESCc1cc(Cl)c(NS(=O)(=O)CCCCCl)c2cccnc12
InChIInChI=1S/C14H16Cl2N2O2S/c1-10-9-12(16)14(11-5-4-7-17-13(10)11)18-21(19,20)8-3-2-6-15/h4-5,7,9,18H,2-3,6,8H2,1H3
InChIKeyJABUKLZFWPGIBJ-UHFFFAOYSA-N
XLogP3.96
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.27
LogP ≤ 53.96
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-(8-methylquinolin-5-yl)propane-1-sulfonamide
CID 54877715
6-chloro-8-methyl-N-[(2-methylphenyl)methyl]quinolin-5-amine
CID 43674610
6-chloro-N-(3,3-dimethylbutyl)-8-methylquinolin-5-amine
CID 63427847
4-chloro-N-quinolin-5-ylbutane-1-sulfonamide
CID 116814822
(2S)-2-amino-N-(6-chloro-8-methylquinolin-5-yl)butanamide
CID 79024943
6-chloro-N-hexan-2-yl-8-methylquinolin-5-amine
CID 43779304
4-chloro-N-[(3-methyl-2-pyridinyl)methyl]butane-1-sulfonamide
CID 116816179
(2S)-2-amino-N-(6-chloro-8-methylquinolin-5-yl)-4-methylpentanamide
CID 61155650
N-(6-chloro-8-methylquinolin-5-yl)-2-ethoxyacetamide
CID 60779334
6-chloro-N-cyclohexyl-8-methylquinolin-5-amine
CID 43674648
2-[2-[(6-chloro-8-methylquinolin-5-yl)amino]-2-oxoethoxy]acetic acid
CID 61329018
2-bromo-N-(6-chloro-8-methylquinolin-5-yl)butanamide
CID 55126113

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(6-chloro-8-methylquinolin-5-yl)butane-1-sulfonamide?
The IUPAC name of 4-chloro-N-(6-chloro-8-methylquinolin-5-yl)butane-1-sulfonamide (CID 116815533) is 4-chloro-N-(6-chloro-8-methylquinolin-5-yl)butane-1-sulfonamide.
What is the SMILES notation for 4-chloro-N-(6-chloro-8-methylquinolin-5-yl)butane-1-sulfonamide?
The canonical SMILES for 4-chloro-N-(6-chloro-8-methylquinolin-5-yl)butane-1-sulfonamide is Cc1cc(Cl)c(NS(=O)(=O)CCCCCl)c2cccnc12.
What is the InChIKey of 4-chloro-N-(6-chloro-8-methylquinolin-5-yl)butane-1-sulfonamide?
The InChIKey is JABUKLZFWPGIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O2S/c1-10-9-12(16)14(11-5-4-7-17-13(10)11)18-21(19,20)8-3-2-6-15/h4-5,7,9,18H,2-3,6,8H2,1H3.
What are the key properties of 4-chloro-N-(6-chloro-8-methylquinolin-5-yl)butane-1-sulfonamide?
4-chloro-N-(6-chloro-8-methylquinolin-5-yl)butane-1-sulfonamide has a molecular weight of 347.27 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(6-chloro-8-methylquinolin-5-yl)butane-1-sulfonamide is sourced from PubChem (CID 116815533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).