1-chloro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]methanesulfonamide

C14H19ClN2O3S — CID 7635663

IUPAC1-chloro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]methanesulfonamide
SMILESCC(C)C(=O)N1CCCc2cc(NS(=O)(=O)CCl)ccc21
InChIInChI=1S/C14H19ClN2O3S/c1-10(2)14(18)17-7-3-4-11-8-12(5-6-13(11)17)16-21(19,20)9-15/h5-6,8,10,16H,3-4,7,9H2,1-2H3
InChIKeyBWWXEMMJYQNQAL-UHFFFAOYSA-N
MW330.84 g/mol
LogP2.56
Rot. Bonds4

About 1-chloro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]methanesulfonamide

1-chloro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]methanesulfonamide (PubChem CID 7635663) has the molecular formula C14H19ClN2O3S and a molecular weight of 330.84 g/mol. Its IUPAC name is 1-chloro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]methanesulfonamide
PubChem CID7635663
Molecular FormulaC14H19ClN2O3S
Molecular Weight330.84 g/mol
Exact Mass330.08
IUPAC Name1-chloro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]methanesulfonamide
SMILESCC(C)C(=O)N1CCCc2cc(NS(=O)(=O)CCl)ccc21
InChIInChI=1S/C14H19ClN2O3S/c1-10(2)14(18)17-7-3-4-11-8-12(5-6-13(11)17)16-21(19,20)9-15/h5-6,8,10,16H,3-4,7,9H2,1-2H3
InChIKeyBWWXEMMJYQNQAL-UHFFFAOYSA-N
XLogP2.56
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-chloro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-sulfonamide
CID 7498939
N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]naphthalene-2-sulfonamide
CID 7498928
1-[6-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropan-1-one
CID 28803858
2-methoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 7656750
3,4-dimethyl-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzenesulfonamide
CID 110358460
N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 7656757
N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]cyclopentanecarboxamide
CID 7656708
N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)propane-2-sulfonamide
CID 16834785
2-methyl-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]-5-nitrobenzenesulfonamide
CID 7498927
N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]cyclohexanecarboxamide
CID 18584143
3,4-dichloro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 7498736
5-ethyl-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]thiophene-2-sulfonamide
CID 110358472

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]methanesulfonamide?
The IUPAC name of 1-chloro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]methanesulfonamide (CID 7635663) is 1-chloro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]methanesulfonamide.
What is the SMILES notation for 1-chloro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]methanesulfonamide?
The canonical SMILES for 1-chloro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]methanesulfonamide is CC(C)C(=O)N1CCCc2cc(NS(=O)(=O)CCl)ccc21.
What is the InChIKey of 1-chloro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]methanesulfonamide?
The InChIKey is BWWXEMMJYQNQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3S/c1-10(2)14(18)17-7-3-4-11-8-12(5-6-13(11)17)16-21(19,20)9-15/h5-6,8,10,16H,3-4,7,9H2,1-2H3.
What are the key properties of 1-chloro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]methanesulfonamide?
1-chloro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]methanesulfonamide has a molecular weight of 330.84 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]methanesulfonamide is sourced from PubChem (CID 7635663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).