2-chloro-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide

C22H23ClN2O5S — CID 1164813

IUPAC2-chloro-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
SMILESCOc1ccc2cc(CN(C[C@H]3CCCO3)S(=O)(=O)c3ccccc3Cl)c(=O)[nH]c2c1
InChIInChI=1S/C22H23ClN2O5S/c1-29-17-9-8-15-11-16(22(26)24-20(15)12-17)13-25(14-18-5-4-10-30-18)31(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)/t18-/m1/s1
InChIKeyXVRPAZVOFWJMRS-GOSISDBHSA-N
MW462.96 g/mol
LogP3.56
Rot. Bonds7

About 2-chloro-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide

2-chloro-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide (PubChem CID 1164813) has the molecular formula C22H23ClN2O5S and a molecular weight of 462.96 g/mol. Its IUPAC name is 2-chloro-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
PubChem CID1164813
Molecular FormulaC22H23ClN2O5S
Molecular Weight462.96 g/mol
Exact Mass462.10
IUPAC Name2-chloro-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
SMILESCOc1ccc2cc(CN(C[C@H]3CCCO3)S(=O)(=O)c3ccccc3Cl)c(=O)[nH]c2c1
InChIInChI=1S/C22H23ClN2O5S/c1-29-17-9-8-15-11-16(22(26)24-20(15)12-17)13-25(14-18-5-4-10-30-18)31(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)/t18-/m1/s1
InChIKeyXVRPAZVOFWJMRS-GOSISDBHSA-N
XLogP3.56
TPSA88.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.96
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide
CID 3184105
2-chloro-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-5-(trifluoromethyl)benzenesulfonamide
CID 1164823
2-chloro-N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3184270
2-chloro-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3183883
N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2,4,6-trimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1373419
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3185987
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3765229
4-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1168870
N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 1165292
4-chloro-N-(1,4-dioxan-2-ylmethyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 655996
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-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1373444

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide (CID 1164813) is 2-chloro-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide is COc1ccc2cc(CN(C[C@H]3CCCO3)S(=O)(=O)c3ccccc3Cl)c(=O)[nH]c2c1.
What is the InChIKey of 2-chloro-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide?
The InChIKey is XVRPAZVOFWJMRS-GOSISDBHSA-N. The full InChI is InChI=1S/C22H23ClN2O5S/c1-29-17-9-8-15-11-16(22(26)24-20(15)12-17)13-25(14-18-5-4-10-30-18)31(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)/t18-/m1/s1.
What are the key properties of 2-chloro-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide?
2-chloro-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide has a molecular weight of 462.96 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 1164813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).