2-chloro-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide

C22H23ClN2O4S — CID 3183883

IUPAC2-chloro-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCc1ccc2[nH]c(=O)c(CN(CC3CCCO3)S(=O)(=O)c3ccccc3Cl)cc2c1
InChIInChI=1S/C22H23ClN2O4S/c1-15-8-9-20-16(11-15)12-17(22(26)24-20)13-25(14-18-5-4-10-29-18)30(27,28)21-7-3-2-6-19(21)23/h2-3,6-9,11-12,18H,4-5,10,13-14H2,1H3,(H,24,26)
InChIKeyQYKQRNMJZJHXGQ-UHFFFAOYSA-N
MW446.96 g/mol
LogP3.86
Rot. Bonds6

About 2-chloro-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide

2-chloro-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide (PubChem CID 3183883) has the molecular formula C22H23ClN2O4S and a molecular weight of 446.96 g/mol. Its IUPAC name is 2-chloro-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
PubChem CID3183883
Molecular FormulaC22H23ClN2O4S
Molecular Weight446.96 g/mol
Exact Mass446.11
IUPAC Name2-chloro-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCc1ccc2[nH]c(=O)c(CN(CC3CCCO3)S(=O)(=O)c3ccccc3Cl)cc2c1
InChIInChI=1S/C22H23ClN2O4S/c1-15-8-9-20-16(11-15)12-17(22(26)24-20)13-25(14-18-5-4-10-29-18)30(27,28)21-7-3-2-6-19(21)23/h2-3,6-9,11-12,18H,4-5,10,13-14H2,1H3,(H,24,26)
InChIKeyQYKQRNMJZJHXGQ-UHFFFAOYSA-N
XLogP3.86
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.96
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3184270
4-chloro-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1073171
2-chloro-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1164813
4-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1168870
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3765229
N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1168709
N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 1165292
2-fluoro-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3184347
2-fluoro-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1373443
2-fluoro-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1373444
N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,4,6-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1373626
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3185987

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide (CID 3183883) is 2-chloro-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide is Cc1ccc2[nH]c(=O)c(CN(CC3CCCO3)S(=O)(=O)c3ccccc3Cl)cc2c1.
What is the InChIKey of 2-chloro-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The InChIKey is QYKQRNMJZJHXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O4S/c1-15-8-9-20-16(11-15)12-17(22(26)24-20)13-25(14-18-5-4-10-29-18)30(27,28)21-7-3-2-6-19(21)23/h2-3,6-9,11-12,18H,4-5,10,13-14H2,1H3,(H,24,26).
What are the key properties of 2-chloro-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide?
2-chloro-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide has a molecular weight of 446.96 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 3183883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).