2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide

C22H25ClN2O4S — CID 56504178

IUPAC2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCN(CC1CCCO1)C(=O)c1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1Cl
InChIInChI=1S/C22H25ClN2O4S/c1-24(15-17-8-5-13-29-17)22(26)19-14-18(10-11-20(19)23)30(27,28)25-12-4-7-16-6-2-3-9-21(16)25/h2-3,6,9-11,14,17H,4-5,7-8,12-13,15H2,1H3
InChIKeyYGMKTFQNUNXKDY-UHFFFAOYSA-N
MW448.97 g/mol
LogP3.73
Rot. Bonds5

About 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide

2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 56504178) has the molecular formula C22H25ClN2O4S and a molecular weight of 448.97 g/mol. Its IUPAC name is 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
PubChem CID56504178
Molecular FormulaC22H25ClN2O4S
Molecular Weight448.97 g/mol
Exact Mass448.12
IUPAC Name2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCN(CC1CCCO1)C(=O)c1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1Cl
InChIInChI=1S/C22H25ClN2O4S/c1-24(15-17-8-5-13-29-17)22(26)19-14-18(10-11-20(19)23)30(27,28)25-12-4-7-16-6-2-3-9-21(16)25/h2-3,6,9-11,14,17H,4-5,7-8,12-13,15H2,1H3
InChIKeyYGMKTFQNUNXKDY-UHFFFAOYSA-N
XLogP3.73
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.97
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,3-dihydroindol-1-ylsulfonyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 56504051
2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 2342108
N-butyl-2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide
CID 18106238
2-chloro-N-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 56503413
5-amino-2-chloro-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 61430467
(3-methyl-1,2-oxazol-5-yl)methyl 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 16571218
2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[3-(ethylcarbamoyl)phenyl]benzamide
CID 55337570
N-(3-acetamidophenyl)-2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide
CID 26114555
[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 55589053
[2-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 2423179
2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-hydroxyphenyl)benzamide
CID 43036265
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methyl-N-(2-methylpropyl)benzamide
CID 134057952

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide (CID 56504178) is 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide is CN(CC1CCCO1)C(=O)c1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1Cl.
What is the InChIKey of 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is YGMKTFQNUNXKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O4S/c1-24(15-17-8-5-13-29-17)22(26)19-14-18(10-11-20(19)23)30(27,28)25-12-4-7-16-6-2-3-9-21(16)25/h2-3,6,9-11,14,17H,4-5,7-8,12-13,15H2,1H3.
What are the key properties of 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide?
2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 448.97 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 56504178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).