N-[6-chloro-1-(cyclohexylmethyl)-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide

C22H27ClN2O2S — CID 11270072

IUPACN-[6-chloro-1-(cyclohexylmethyl)-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide
SMILESO=S(=O)(NC1Cc2cc(Cl)ccc2N(CC2CCCCC2)C1)c1ccccc1
InChIInChI=1S/C22H27ClN2O2S/c23-19-11-12-22-18(13-19)14-20(16-25(22)15-17-7-3-1-4-8-17)24-28(26,27)21-9-5-2-6-10-21/h2,5-6,9-13,17,20,24H,1,3-4,7-8,14-16H2
InChIKeyJTZYDJXMZGJJBF-UHFFFAOYSA-N
MW418.99 g/mol
LogP4.63
Rot. Bonds5

About N-[6-chloro-1-(cyclohexylmethyl)-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide

N-[6-chloro-1-(cyclohexylmethyl)-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide (PubChem CID 11270072) has the molecular formula C22H27ClN2O2S and a molecular weight of 418.99 g/mol. Its IUPAC name is N-[6-chloro-1-(cyclohexylmethyl)-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[6-chloro-1-(cyclohexylmethyl)-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide
PubChem CID11270072
Molecular FormulaC22H27ClN2O2S
Molecular Weight418.99 g/mol
Exact Mass418.15
IUPAC NameN-[6-chloro-1-(cyclohexylmethyl)-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide
SMILESO=S(=O)(NC1Cc2cc(Cl)ccc2N(CC2CCCCC2)C1)c1ccccc1
InChIInChI=1S/C22H27ClN2O2S/c23-19-11-12-22-18(13-19)14-20(16-25(22)15-17-7-3-1-4-8-17)24-28(26,27)21-9-5-2-6-10-21/h2,5-6,9-13,17,20,24H,1,3-4,7-8,14-16H2
InChIKeyJTZYDJXMZGJJBF-UHFFFAOYSA-N
XLogP4.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.99
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)thiophene-3-sulfonamide
CID 11350637
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-[1-(benzenesulfonyl)-6-phenyl-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide
CID 25006923
N-[1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide
CID 59778187
N-(8-benzyl-3-phenyl-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-6-yl)benzenesulfonamide
CID 11554304
3-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide
CID 2823472
N-[1-(cyclohexylmethyl)piperidin-4-yl]-3,4-difluorobenzenesulfonamide
CID 51127509
N-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]piperidine-1-sulfonamide
CID 52932493
N-[(1S,2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
CID 94784679
N-(1-benzyl-6-isocyano-3,4-dihydro-2H-quinolin-3-yl)-2-cyclohexylacetamide
CID 58674918

Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-1-(cyclohexylmethyl)-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide?
The IUPAC name of N-[6-chloro-1-(cyclohexylmethyl)-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide (CID 11270072) is N-[6-chloro-1-(cyclohexylmethyl)-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[6-chloro-1-(cyclohexylmethyl)-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide?
The canonical SMILES for N-[6-chloro-1-(cyclohexylmethyl)-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide is O=S(=O)(NC1Cc2cc(Cl)ccc2N(CC2CCCCC2)C1)c1ccccc1.
What is the InChIKey of N-[6-chloro-1-(cyclohexylmethyl)-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide?
The InChIKey is JTZYDJXMZGJJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O2S/c23-19-11-12-22-18(13-19)14-20(16-25(22)15-17-7-3-1-4-8-17)24-28(26,27)21-9-5-2-6-10-21/h2,5-6,9-13,17,20,24H,1,3-4,7-8,14-16H2.
What are the key properties of N-[6-chloro-1-(cyclohexylmethyl)-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide?
N-[6-chloro-1-(cyclohexylmethyl)-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide has a molecular weight of 418.99 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-1-(cyclohexylmethyl)-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide is sourced from PubChem (CID 11270072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).