2-chloro-N-[1-(1-naphthalen-1-ylethylamino)-3-phenylpropan-2-yl]benzenesulfonamide;hydrochloride

C27H28Cl2N2O2S — CID 45260483

IUPAC2-chloro-N-[1-(1-naphthalen-1-ylethylamino)-3-phenylpropan-2-yl]benzenesulfonamide;hydrochloride
SMILESCC(NCC(Cc1ccccc1)NS(=O)(=O)c1ccccc1Cl)c1cccc2ccccc12.Cl
InChIInChI=1S/C27H27ClN2O2S.ClH/c1-20(24-15-9-13-22-12-5-6-14-25(22)24)29-19-23(18-21-10-3-2-4-11-21)30-33(31,32)27-17-8-7-16-26(27)28;/h2-17,20,23,29-30H,18-19H2,1H3;1H
InChIKeyRWTGMXKZEZPEJL-UHFFFAOYSA-N
MW515.51 g/mol
LogP6.16
Rot. Bonds9

About 2-chloro-N-[1-(1-naphthalen-1-ylethylamino)-3-phenylpropan-2-yl]benzenesulfonamide;hydrochloride

2-chloro-N-[1-(1-naphthalen-1-ylethylamino)-3-phenylpropan-2-yl]benzenesulfonamide;hydrochloride (PubChem CID 45260483) has the molecular formula C27H28Cl2N2O2S and a molecular weight of 515.51 g/mol. Its IUPAC name is 2-chloro-N-[1-(1-naphthalen-1-ylethylamino)-3-phenylpropan-2-yl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-N-[1-(1-naphthalen-1-ylethylamino)-3-phenylpropan-2-yl]benzenesulfonamide;hydrochloride
PubChem CID45260483
Molecular FormulaC27H28Cl2N2O2S
Molecular Weight515.51 g/mol
Exact Mass514.12
IUPAC Name2-chloro-N-[1-(1-naphthalen-1-ylethylamino)-3-phenylpropan-2-yl]benzenesulfonamide;hydrochloride
SMILESCC(NCC(Cc1ccccc1)NS(=O)(=O)c1ccccc1Cl)c1cccc2ccccc12.Cl
InChIInChI=1S/C27H27ClN2O2S.ClH/c1-20(24-15-9-13-22-12-5-6-14-25(22)24)29-19-23(18-21-10-3-2-4-11-21)30-33(31,32)27-17-8-7-16-26(27)28;/h2-17,20,23,29-30H,18-19H2,1H3;1H
InChIKeyRWTGMXKZEZPEJL-UHFFFAOYSA-N
XLogP6.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.51
LogP ≤ 56.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-[1-(1-naphthalen-1-ylethylamino)-3-phenylpropan-2-yl]benzenesulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-((3-(4-(Aminomethyl)phenyl)propyl)amino)ethyl)-1-chloronaphthalene-2-sulfonamide
CID 10296435
N,N'-(3s,4s)-Pyrrolidine-3,4-Diylbis(N-Benzyl-2-Chlorobenzenesulfonamide)
CID 24764433
4-Chloro-N-(2-(piperazin-1-yl)-1,2-dihydroacenaphthylen-1-yl)benzenesulfonamide
CID 2898267
N-benzyl-N-[(3S,4S)-4-[benzyl-(2-chlorophenyl)sulfonylamino]pyrrolidin-3-yl]-2-chlorobenzenesulfonamide;hydrochloride
CID 24829211
N-[2-(4-aminobutylamino)ethyl]-N-(anthracen-9-ylmethyl)-4-methylbenzenesulfonamide
CID 10917750
4-Chloro-N-(2-((10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-yl)amino)ethyl)benzenesulfonamide
CID 71259853
N-benzyl-N-[(3S,4S)-4-[benzyl-(2-chlorophenyl)sulfonylamino]pyrrolidin-1-ium-3-yl]-2-chlorobenzenesulfonamide
CID 44629533
N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 11849342
3,4-dichloro-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide;hydrochloride
CID 11849516
3-chloro-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide;hydrochloride
CID 11849520
2,3,4-trichloro-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide;hydrochloride
CID 11849556
3-chloro-N-[1-(1-naphthalen-1-ylethylamino)-3-phenylpropan-2-yl]benzenesulfonamide;hydrochloride
CID 45260466

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(1-naphthalen-1-ylethylamino)-3-phenylpropan-2-yl]benzenesulfonamide;hydrochloride?
The IUPAC name of 2-chloro-N-[1-(1-naphthalen-1-ylethylamino)-3-phenylpropan-2-yl]benzenesulfonamide;hydrochloride (CID 45260483) is 2-chloro-N-[1-(1-naphthalen-1-ylethylamino)-3-phenylpropan-2-yl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 2-chloro-N-[1-(1-naphthalen-1-ylethylamino)-3-phenylpropan-2-yl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 2-chloro-N-[1-(1-naphthalen-1-ylethylamino)-3-phenylpropan-2-yl]benzenesulfonamide;hydrochloride is CC(NCC(Cc1ccccc1)NS(=O)(=O)c1ccccc1Cl)c1cccc2ccccc12.Cl.
What is the InChIKey of 2-chloro-N-[1-(1-naphthalen-1-ylethylamino)-3-phenylpropan-2-yl]benzenesulfonamide;hydrochloride?
The InChIKey is RWTGMXKZEZPEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN2O2S.ClH/c1-20(24-15-9-13-22-12-5-6-14-25(22)24)29-19-23(18-21-10-3-2-4-11-21)30-33(31,32)27-17-8-7-16-26(27)28;/h2-17,20,23,29-30H,18-19H2,1H3;1H.
What are the key properties of 2-chloro-N-[1-(1-naphthalen-1-ylethylamino)-3-phenylpropan-2-yl]benzenesulfonamide;hydrochloride?
2-chloro-N-[1-(1-naphthalen-1-ylethylamino)-3-phenylpropan-2-yl]benzenesulfonamide;hydrochloride has a molecular weight of 515.51 g/mol, XLogP of 6.16, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(1-naphthalen-1-ylethylamino)-3-phenylpropan-2-yl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 45260483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).