N-[[4-[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]phenyl]methyl]cyclopentanamine

C27H29ClN2O2S — CID 10227698

IUPACN-[[4-[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]phenyl]methyl]cyclopentanamine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1c2ccccc2CCC1c1ccc(CNC2CCCC2)cc1
InChIInChI=1S/C27H29ClN2O2S/c28-23-14-16-25(17-15-23)33(31,32)30-26-8-4-1-5-21(26)13-18-27(30)22-11-9-20(10-12-22)19-29-24-6-2-3-7-24/h1,4-5,8-12,14-17,24,27,29H,2-3,6-7,13,18-19H2
InChIKeyVTIGVDFIDMWALW-UHFFFAOYSA-N
MW481.06 g/mol
LogP6.26
Rot. Bonds6

About N-[[4-[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]phenyl]methyl]cyclopentanamine

N-[[4-[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]phenyl]methyl]cyclopentanamine (PubChem CID 10227698) has the molecular formula C27H29ClN2O2S and a molecular weight of 481.06 g/mol. Its IUPAC name is N-[[4-[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]phenyl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[4-[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]phenyl]methyl]cyclopentanamine
PubChem CID10227698
Molecular FormulaC27H29ClN2O2S
Molecular Weight481.06 g/mol
Exact Mass480.16
IUPAC NameN-[[4-[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]phenyl]methyl]cyclopentanamine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1c2ccccc2CCC1c1ccc(CNC2CCCC2)cc1
InChIInChI=1S/C27H29ClN2O2S/c28-23-14-16-25(17-15-23)33(31,32)30-26-8-4-1-5-21(26)13-18-27(30)22-11-9-20(10-12-22)19-29-24-6-2-3-7-24/h1,4-5,8-12,14-17,24,27,29H,2-3,6-7,13,18-19H2
InChIKeyVTIGVDFIDMWALW-UHFFFAOYSA-N
XLogP6.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.06
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]phenyl]methyl]cyclopentanamine with MolForge

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Related Compounds

1-(4-Chloro-benzenesulfonyl)-1,2,3,4-tetrahydro-quinoline
CID 2843275
4-chloro-N-((1r,4r)-4-(2-(4-(3-(trifluoromethyl)phenylamino)piperidin-1-yl)ethyl)cyclohexyl)benzenesulfonamide
CID 44435089
4-chloro-N-[2-(4-methylanilino)-2-phenylethyl]benzenesulfonamide
CID 2898209
4-chloro-N-[2-(4-chloroanilino)-2-phenylethyl]benzenesulfonamide
CID 4082378
(3aR,4S,9bS)-4-(4-chlorophenyl)-N-(2,6-dimethylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
CID 15991264
1-(2-(1-(4-chlorophenylsulfonyl)-1,2,3,4-tetrahydroquinolin-2-yl)ethylsulfonyl)-N-(thiophen-2-ylmethyl)piperidin-4-amine
CID 45483255
1-((1-(4-chlorophenylsulfonyl)-1,2,3,4-tetrahydroquinolin-2-yl)methylsulfonyl)-N-(thiophen-2-ylmethyl)piperidin-4-amine
CID 45483323
4-chloro-N-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide
CID 71624432
4-chloro-N-[1-[4-[(dimethylamino)methyl]phenyl]piperidin-4-yl]benzenesulfonamide
CID 91800815
Benzenesulfonamide, 4-chloro-N-[2-phenyl-2-(phenylamino)ethyl]-
CID 602841
(3aR,4S,9bS)-N-(3-chloro-2-methylphenyl)-4-(4-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
CID 6547509
4-chloro-N-(2-(p-tolylamino)cyclohexyl)benzenesulfonamide
CID 2912198

Frequently Asked Questions

What is the IUPAC name of N-[[4-[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]phenyl]methyl]cyclopentanamine?
The IUPAC name of N-[[4-[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]phenyl]methyl]cyclopentanamine (CID 10227698) is N-[[4-[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]phenyl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[4-[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]phenyl]methyl]cyclopentanamine?
The canonical SMILES for N-[[4-[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]phenyl]methyl]cyclopentanamine is O=S(=O)(c1ccc(Cl)cc1)N1c2ccccc2CCC1c1ccc(CNC2CCCC2)cc1.
What is the InChIKey of N-[[4-[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]phenyl]methyl]cyclopentanamine?
The InChIKey is VTIGVDFIDMWALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN2O2S/c28-23-14-16-25(17-15-23)33(31,32)30-26-8-4-1-5-21(26)13-18-27(30)22-11-9-20(10-12-22)19-29-24-6-2-3-7-24/h1,4-5,8-12,14-17,24,27,29H,2-3,6-7,13,18-19H2.
What are the key properties of N-[[4-[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]phenyl]methyl]cyclopentanamine?
N-[[4-[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]phenyl]methyl]cyclopentanamine has a molecular weight of 481.06 g/mol, XLogP of 6.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]phenyl]methyl]cyclopentanamine is sourced from PubChem (CID 10227698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).