N-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)thiophene-3-sulfonamide

C20H19ClN2O2S2 — CID 11350637

IUPACN-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)thiophene-3-sulfonamide
SMILESO=S(=O)(NC1Cc2cc(Cl)ccc2N(Cc2ccccc2)C1)c1ccsc1
InChIInChI=1S/C20H19ClN2O2S2/c21-17-6-7-20-16(10-17)11-18(22-27(24,25)19-8-9-26-14-19)13-23(20)12-15-4-2-1-3-5-15/h1-10,14,18,22H,11-13H2
InChIKeyOXVFHXNEMCZNBT-UHFFFAOYSA-N
MW418.97 g/mol
LogP4.31
Rot. Bonds5

About N-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)thiophene-3-sulfonamide

N-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)thiophene-3-sulfonamide (PubChem CID 11350637) has the molecular formula C20H19ClN2O2S2 and a molecular weight of 418.97 g/mol. Its IUPAC name is N-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)thiophene-3-sulfonamide
PubChem CID11350637
Molecular FormulaC20H19ClN2O2S2
Molecular Weight418.97 g/mol
Exact Mass418.06
IUPAC NameN-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)thiophene-3-sulfonamide
SMILESO=S(=O)(NC1Cc2cc(Cl)ccc2N(Cc2ccccc2)C1)c1ccsc1
InChIInChI=1S/C20H19ClN2O2S2/c21-17-6-7-20-16(10-17)11-18(22-27(24,25)19-8-9-26-14-19)13-23(20)12-15-4-2-1-3-5-15/h1-10,14,18,22H,11-13H2
InChIKeyOXVFHXNEMCZNBT-UHFFFAOYSA-N
XLogP4.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.97
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzyl-6-bromo-3,4-dihydro-2H-quinolin-3-yl)benzenesulfonamide
CID 59778201
N-[1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide
CID 66757324
(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)carbamic acid
CID 66757512
N-[6-chloro-1-(cyclohexylmethyl)-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide
CID 11270072
N-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)-2-phenylmethoxypropanamide
CID 68580973
N-[1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinolin-3-yl]thiophene-2-sulfonamide
CID 11362765
N-[1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide
CID 59778187
N-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)-2-(3,5-dimethoxyphenyl)acetamide
CID 68582624
N-[1-benzyl-6-(4-fluorophenyl)-3,4-dihydro-2H-quinolin-3-yl]-1-phenylmethanesulfonamide
CID 52932427
N-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]piperidine-1-sulfonamide
CID 52932493
N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide
CID 95275479
N-(8-benzyl-3-phenyl-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-6-yl)benzenesulfonamide
CID 11554304

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)thiophene-3-sulfonamide?
The IUPAC name of N-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)thiophene-3-sulfonamide (CID 11350637) is N-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)thiophene-3-sulfonamide?
The canonical SMILES for N-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)thiophene-3-sulfonamide is O=S(=O)(NC1Cc2cc(Cl)ccc2N(Cc2ccccc2)C1)c1ccsc1.
What is the InChIKey of N-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)thiophene-3-sulfonamide?
The InChIKey is OXVFHXNEMCZNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2S2/c21-17-6-7-20-16(10-17)11-18(22-27(24,25)19-8-9-26-14-19)13-23(20)12-15-4-2-1-3-5-15/h1-10,14,18,22H,11-13H2.
What are the key properties of N-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)thiophene-3-sulfonamide?
N-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)thiophene-3-sulfonamide has a molecular weight of 418.97 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 11350637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).