N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-5-chloro-2-methoxy-4-methylbenzenesulfonamide

C19H21ClN2O4S — CID 171343854

IUPACN-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-5-chloro-2-methoxy-4-methylbenzenesulfonamide
SMILESCOc1cc(C)c(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)CCCN2C(C)=O
InChIInChI=1S/C19H21ClN2O4S/c1-12-9-18(26-3)19(11-16(12)20)27(24,25)21-15-6-7-17-14(10-15)5-4-8-22(17)13(2)23/h6-7,9-11,21H,4-5,8H2,1-3H3
InChIKeyJOPCREHDUHDFAU-UHFFFAOYSA-N
MW408.91 g/mol
LogP3.76
Rot. Bonds4

About N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-5-chloro-2-methoxy-4-methylbenzenesulfonamide

N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-5-chloro-2-methoxy-4-methylbenzenesulfonamide (PubChem CID 171343854) has the molecular formula C19H21ClN2O4S and a molecular weight of 408.91 g/mol. Its IUPAC name is N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-5-chloro-2-methoxy-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-5-chloro-2-methoxy-4-methylbenzenesulfonamide
PubChem CID171343854
Molecular FormulaC19H21ClN2O4S
Molecular Weight408.91 g/mol
Exact Mass408.09
IUPAC NameN-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-5-chloro-2-methoxy-4-methylbenzenesulfonamide
SMILESCOc1cc(C)c(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)CCCN2C(C)=O
InChIInChI=1S/C19H21ClN2O4S/c1-12-9-18(26-3)19(11-16(12)20)27(24,25)21-15-6-7-17-14(10-15)5-4-8-22(17)13(2)23/h6-7,9-11,21H,4-5,8H2,1-3H3
InChIKeyJOPCREHDUHDFAU-UHFFFAOYSA-N
XLogP3.76
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.91
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 7498773
N-[1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 171354423
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-chlorobenzenesulfonamide
CID 42388549
N-(1-acetyl-2,3-dihydroindol-5-yl)-2,5-dichlorobenzenesulfonamide
CID 42388553
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-chloro-2-methylbenzenesulfonamide;molecular hydrogen
CID 161351368
4-methoxy-3-methyl-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 27604917
1-acetyl-N-(3,5-dimethylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3453923
4-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 7635869
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2,4,5-trimethylbenzenesulfonamide
CID 7498812
N-(1-acetyl-2,3-dihydroindol-5-yl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 42388555
1-acetyl-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 133217517
1-acetyl-5-bromo-N-(3,4-dimethoxyphenyl)-2,3-dihydroindole-6-sulfonamide
CID 46374657

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-5-chloro-2-methoxy-4-methylbenzenesulfonamide?
The IUPAC name of N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-5-chloro-2-methoxy-4-methylbenzenesulfonamide (CID 171343854) is N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-5-chloro-2-methoxy-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-5-chloro-2-methoxy-4-methylbenzenesulfonamide?
The canonical SMILES for N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-5-chloro-2-methoxy-4-methylbenzenesulfonamide is COc1cc(C)c(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)CCCN2C(C)=O.
What is the InChIKey of N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-5-chloro-2-methoxy-4-methylbenzenesulfonamide?
The InChIKey is JOPCREHDUHDFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4S/c1-12-9-18(26-3)19(11-16(12)20)27(24,25)21-15-6-7-17-14(10-15)5-4-8-22(17)13(2)23/h6-7,9-11,21H,4-5,8H2,1-3H3.
What are the key properties of N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-5-chloro-2-methoxy-4-methylbenzenesulfonamide?
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-5-chloro-2-methoxy-4-methylbenzenesulfonamide has a molecular weight of 408.91 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-5-chloro-2-methoxy-4-methylbenzenesulfonamide is sourced from PubChem (CID 171343854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).