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

C20H23ClN2O3S — CID 18106238

IUPACN-butyl-2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide
SMILESCCCCNC(=O)c1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1Cl
InChIInChI=1S/C20H23ClN2O3S/c1-2-3-12-22-20(24)17-14-16(10-11-18(17)21)27(25,26)23-13-6-8-15-7-4-5-9-19(15)23/h4-5,7,9-11,14H,2-3,6,8,12-13H2,1H3,(H,22,24)
InChIKeyKOHYSMFUQQZNNC-UHFFFAOYSA-N
MW406.94 g/mol
LogP4.01
Rot. Bonds6

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

N-butyl-2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide (PubChem CID 18106238) has the molecular formula C20H23ClN2O3S and a molecular weight of 406.94 g/mol. Its IUPAC name is N-butyl-2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide.

Molecular Properties

Compound NameN-butyl-2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide
PubChem CID18106238
Molecular FormulaC20H23ClN2O3S
Molecular Weight406.94 g/mol
Exact Mass406.11
IUPAC NameN-butyl-2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide
SMILESCCCCNC(=O)c1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1Cl
InChIInChI=1S/C20H23ClN2O3S/c1-2-3-12-22-20(24)17-14-16(10-11-18(17)21)27(25,26)23-13-6-8-15-7-4-5-9-19(15)23/h4-5,7,9-11,14H,2-3,6,8,12-13H2,1H3,(H,22,24)
InChIKeyKOHYSMFUQQZNNC-UHFFFAOYSA-N
XLogP4.01
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.94
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 2342108
N-butyl-2-(3-chlorophenyl)sulfanyl-5-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 5223234
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)-N-[3-(ethylcarbamoyl)phenyl]benzamide
CID 55337570
2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-hydroxyphenyl)benzamide
CID 43036265
5-(azepan-1-ylsulfonyl)-N-butyl-2-chlorobenzamide
CID 28590824
2,5-dichloro-N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]benzamide
CID 17320187
ethyl N-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]carbamate
CID 58794318
(3-methyl-1,2-oxazol-5-yl)methyl 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 16571218
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-propylthiophene-2-carboxamide
CID 6503799
[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 55589053
2-chloro-N'-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]ethanimidamide
CID 169367214

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide?
The IUPAC name of N-butyl-2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide (CID 18106238) is N-butyl-2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide.
What is the SMILES notation for N-butyl-2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide?
The canonical SMILES for N-butyl-2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide is CCCCNC(=O)c1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1Cl.
What is the InChIKey of N-butyl-2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide?
The InChIKey is KOHYSMFUQQZNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3S/c1-2-3-12-22-20(24)17-14-16(10-11-18(17)21)27(25,26)23-13-6-8-15-7-4-5-9-19(15)23/h4-5,7,9-11,14H,2-3,6,8,12-13H2,1H3,(H,22,24).
What are the key properties of N-butyl-2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide?
N-butyl-2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide has a molecular weight of 406.94 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide is sourced from PubChem (CID 18106238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).