2-chloro-N,N-diethyl-3-methylquinoline-6-sulfonamide

C14H17ClN2O2S — CID 39453360

IUPAC2-chloro-N,N-diethyl-3-methylquinoline-6-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2nc(Cl)c(C)cc2c1
InChIInChI=1S/C14H17ClN2O2S/c1-4-17(5-2)20(18,19)12-6-7-13-11(9-12)8-10(3)14(15)16-13/h6-9H,4-5H2,1-3H3
InChIKeyBGSQWRNEJBWAFP-UHFFFAOYSA-N
MW312.82 g/mol
LogP3.23
Rot. Bonds4

About 2-chloro-N,N-diethyl-3-methylquinoline-6-sulfonamide

2-chloro-N,N-diethyl-3-methylquinoline-6-sulfonamide (PubChem CID 39453360) has the molecular formula C14H17ClN2O2S and a molecular weight of 312.82 g/mol. Its IUPAC name is 2-chloro-N,N-diethyl-3-methylquinoline-6-sulfonamide.

Molecular Properties

Compound Name2-chloro-N,N-diethyl-3-methylquinoline-6-sulfonamide
PubChem CID39453360
Molecular FormulaC14H17ClN2O2S
Molecular Weight312.82 g/mol
Exact Mass312.07
IUPAC Name2-chloro-N,N-diethyl-3-methylquinoline-6-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2nc(Cl)c(C)cc2c1
InChIInChI=1S/C14H17ClN2O2S/c1-4-17(5-2)20(18,19)12-6-7-13-11(9-12)8-10(3)14(15)16-13/h6-9H,4-5H2,1-3H3
InChIKeyBGSQWRNEJBWAFP-UHFFFAOYSA-N
XLogP3.23
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N,N-diethylquinoxaline-6-sulfonamide
CID 50743348
2-chloro-N-ethyl-N-(2-methylprop-2-enyl)quinoline-6-sulfonamide
CID 43456823
5-(diethylsulfamoyl)-2-methylbenzoyl chloride
CID 15639076
2-chloro-3-ethylquinoline-6-sulfonyl chloride
CID 82045239
3,4-dichloro-N-(2-chloroethyl)-N-ethylbenzenesulfonamide
CID 63397566
5-(diethylsulfamoyl)-N,N-diethyl-2-methylbenzamide
CID 78777279
4-(2-chloro-3-methylquinolin-6-yl)sulfonylpiperazin-2-one
CID 126799452
2,3-dichloro-N,N-dimethylquinoxaline-6-sulfonamide
CID 24845953
6-chloro-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-methylquinoline-3-carboxamide
CID 37012318
(2-chloroquinolin-3-yl)methyl 4-(diethylsulfamoyl)benzoate
CID 46810230
N,N-diethyl-3-(methanesulfonamido)-4-methylbenzenesulfonamide
CID 167869389
4-(2-chloro-3-methylquinolin-6-yl)sulfonyl-6-methylpiperazin-2-one
CID 154805507

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-diethyl-3-methylquinoline-6-sulfonamide?
The IUPAC name of 2-chloro-N,N-diethyl-3-methylquinoline-6-sulfonamide (CID 39453360) is 2-chloro-N,N-diethyl-3-methylquinoline-6-sulfonamide.
What is the SMILES notation for 2-chloro-N,N-diethyl-3-methylquinoline-6-sulfonamide?
The canonical SMILES for 2-chloro-N,N-diethyl-3-methylquinoline-6-sulfonamide is CCN(CC)S(=O)(=O)c1ccc2nc(Cl)c(C)cc2c1.
What is the InChIKey of 2-chloro-N,N-diethyl-3-methylquinoline-6-sulfonamide?
The InChIKey is BGSQWRNEJBWAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2S/c1-4-17(5-2)20(18,19)12-6-7-13-11(9-12)8-10(3)14(15)16-13/h6-9H,4-5H2,1-3H3.
What are the key properties of 2-chloro-N,N-diethyl-3-methylquinoline-6-sulfonamide?
2-chloro-N,N-diethyl-3-methylquinoline-6-sulfonamide has a molecular weight of 312.82 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-diethyl-3-methylquinoline-6-sulfonamide is sourced from PubChem (CID 39453360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).