3-chloro-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide;hydrochloride

C24H28Cl2N2O2S — CID 11849520

IUPAC3-chloro-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide;hydrochloride
SMILESCC(N[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cccc(Cl)c1)c1cccc2ccccc12.Cl
InChIInChI=1S/C24H27ClN2O2S.ClH/c1-17(21-13-6-9-18-8-2-3-12-22(18)21)26-23-14-4-5-15-24(23)27-30(28,29)20-11-7-10-19(25)16-20;/h2-3,6-13,16-17,23-24,26-27H,4-5,14-15H2,1H3;1H/t17?,23-,24-;/m1./s1
InChIKeyYUPFPYGHJPNQMG-NSCKWKRSSA-N
MW479.47 g/mol
LogP5.86
Rot. Bonds6

About 3-chloro-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide;hydrochloride

3-chloro-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide;hydrochloride (PubChem CID 11849520) has the molecular formula C24H28Cl2N2O2S and a molecular weight of 479.47 g/mol. Its IUPAC name is 3-chloro-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-chloro-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide;hydrochloride
PubChem CID11849520
Molecular FormulaC24H28Cl2N2O2S
Molecular Weight479.47 g/mol
Exact Mass478.12
IUPAC Name3-chloro-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide;hydrochloride
SMILESCC(N[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cccc(Cl)c1)c1cccc2ccccc12.Cl
InChIInChI=1S/C24H27ClN2O2S.ClH/c1-17(21-13-6-9-18-8-2-3-12-22(18)21)26-23-14-4-5-15-24(23)27-30(28,29)20-11-7-10-19(25)16-20;/h2-3,6-13,16-17,23-24,26-27H,4-5,14-15H2,1H3;1H/t17?,23-,24-;/m1./s1
InChIKeyYUPFPYGHJPNQMG-NSCKWKRSSA-N
XLogP5.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.47
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-chloro-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide;hydrochloride with MolForge

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Related Compounds

4-Chloro-N-(2-(piperazin-1-yl)-1,2-dihydroacenaphthylen-1-yl)benzenesulfonamide
CID 2898267
4-Chloro-N-(2-((10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-yl)amino)ethyl)benzenesulfonamide
CID 71259853
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
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
N-[1-(1-naphthalen-1-ylethylamino)-3-phenylpropan-2-yl]benzenesulfonamide;hydrochloride
CID 45260474
2-chloro-N-[1-(1-naphthalen-1-ylethylamino)-3-phenylpropan-2-yl]benzenesulfonamide;hydrochloride
CID 45260483
4-chloro-N-[1-(1-naphthalen-1-ylethylamino)-3-phenylpropan-2-yl]benzenesulfonamide;hydrochloride
CID 45260512
4-methyl-N-[1-(1-naphthalen-1-ylethylamino)-3-phenylpropan-2-yl]benzenesulfonamide;hydrochloride
CID 45264304
N-[1-(1-naphthalen-1-ylethylamino)-3-phenylpropan-2-yl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 45264321
N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 45265810

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 3-chloro-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide;hydrochloride (CID 11849520) is 3-chloro-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-chloro-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 3-chloro-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide;hydrochloride is CC(N[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cccc(Cl)c1)c1cccc2ccccc12.Cl.
What is the InChIKey of 3-chloro-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide;hydrochloride?
The InChIKey is YUPFPYGHJPNQMG-NSCKWKRSSA-N. The full InChI is InChI=1S/C24H27ClN2O2S.ClH/c1-17(21-13-6-9-18-8-2-3-12-22(18)21)26-23-14-4-5-15-24(23)27-30(28,29)20-11-7-10-19(25)16-20;/h2-3,6-13,16-17,23-24,26-27H,4-5,14-15H2,1H3;1H/t17?,23-,24-;/m1./s1.
What are the key properties of 3-chloro-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide;hydrochloride?
3-chloro-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide;hydrochloride has a molecular weight of 479.47 g/mol, XLogP of 5.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 11849520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).