N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-chloro-4-methoxybenzenesulfonamide

C23H21ClN2O4S — CID 42448544

IUPACN-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-chloro-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)cc1Cl
InChIInChI=1S/C23H21ClN2O4S/c1-30-22-12-11-19(15-20(22)24)31(28,29)25-18-10-9-16-8-5-13-26(21(16)14-18)23(27)17-6-3-2-4-7-17/h2-4,6-7,9-12,14-15,25H,5,8,13H2,1H3
InChIKeyIUPVXZGCBAVDGH-UHFFFAOYSA-N
MW456.95 g/mol
LogP4.74
Rot. Bonds5

About N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-chloro-4-methoxybenzenesulfonamide

N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-chloro-4-methoxybenzenesulfonamide (PubChem CID 42448544) has the molecular formula C23H21ClN2O4S and a molecular weight of 456.95 g/mol. Its IUPAC name is N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-chloro-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-chloro-4-methoxybenzenesulfonamide
PubChem CID42448544
Molecular FormulaC23H21ClN2O4S
Molecular Weight456.95 g/mol
Exact Mass456.09
IUPAC NameN-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-chloro-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)cc1Cl
InChIInChI=1S/C23H21ClN2O4S/c1-30-22-12-11-19(15-20(22)24)31(28,29)25-18-10-9-16-8-5-13-26(21(16)14-18)23(27)17-6-3-2-4-7-17/h2-4,6-7,9-12,14-15,25H,5,8,13H2,1H3
InChIKeyIUPVXZGCBAVDGH-UHFFFAOYSA-N
XLogP4.74
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.95
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3,4-dimethoxybenzenesulfonamide
CID 27444717
1-(3-chlorobenzoyl)-N-(3-chloro-4-methoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248242
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-1-(3,4-dimethoxyphenyl)methanesulfonamide
CID 43990209
N-[4-[(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)sulfamoyl]phenyl]propanamide
CID 27605044
1-benzoyl-N-(2-methoxy-5-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247836
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-4-chlorobenzenesulfonamide
CID 27557632
3-chloro-4-methoxy-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 99967101
3-fluoro-4-methoxy-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
CID 27443773
1-benzoyl-N-phenyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247797
N-(3-chloro-4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109059198
1-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-(2-methoxyphenyl)urea
CID 30372555
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 27476815

Frequently Asked Questions

What is the IUPAC name of N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-chloro-4-methoxybenzenesulfonamide?
The IUPAC name of N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-chloro-4-methoxybenzenesulfonamide (CID 42448544) is N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-chloro-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-chloro-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-chloro-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)cc1Cl.
What is the InChIKey of N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-chloro-4-methoxybenzenesulfonamide?
The InChIKey is IUPVXZGCBAVDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O4S/c1-30-22-12-11-19(15-20(22)24)31(28,29)25-18-10-9-16-8-5-13-26(21(16)14-18)23(27)17-6-3-2-4-7-17/h2-4,6-7,9-12,14-15,25H,5,8,13H2,1H3.
What are the key properties of N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-chloro-4-methoxybenzenesulfonamide?
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-chloro-4-methoxybenzenesulfonamide has a molecular weight of 456.95 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-chloro-4-methoxybenzenesulfonamide is sourced from PubChem (CID 42448544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).