4-[(1R)-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]benzenesulfonamide

C18H22N2O2S — CID 97185991

IUPAC4-[(1R)-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]benzenesulfonamide
SMILESC[C@@H](N[C@@H]1CCCc2ccccc21)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H22N2O2S/c1-13(14-9-11-16(12-10-14)23(19,21)22)20-18-8-4-6-15-5-2-3-7-17(15)18/h2-3,5,7,9-13,18,20H,4,6,8H2,1H3,(H2,19,21,22)/t13-,18-/m1/s1
InChIKeyBUNMCGGXQJOPBJ-FZKQIMNGSA-N
MW330.45 g/mol
LogP3.06
Rot. Bonds4

About 4-[(1R)-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]benzenesulfonamide

4-[(1R)-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]benzenesulfonamide (PubChem CID 97185991) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 4-[(1R)-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(1R)-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]benzenesulfonamide
PubChem CID97185991
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name4-[(1R)-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]benzenesulfonamide
SMILESC[C@@H](N[C@@H]1CCCc2ccccc21)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H22N2O2S/c1-13(14-9-11-16(12-10-14)23(19,21)22)20-18-8-4-6-15-5-2-3-7-17(15)18/h2-3,5,7,9-13,18,20H,4,6,8H2,1H3,(H2,19,21,22)/t13-,18-/m1/s1
InChIKeyBUNMCGGXQJOPBJ-FZKQIMNGSA-N
XLogP3.06
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(1R)-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]benzenesulfonamide with MolForge

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Related Compounds

N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 78956142
N-[1-(4-methylphenyl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63449232
(1S)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;(1R)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 158216876
N-[1-(3,4-dichlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43111218
(2R)-2-[(4-sulfamoylphenyl)methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 2449061
N-[(1R)-1-pyridin-3-ylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81406890
N-[1-(4-chloro-3-fluorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 83057984
4-[1-(cyclohexylamino)ethyl]benzenesulfonamide
CID 43681895
1-(sulfamoylamino)-1,2,3,4-tetrahydronaphthalene
CID 45117542
N-[(1S)-1-(2-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81374280
N-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43204364
sodium N-(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamate
CID 67463776

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[(1R)-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]benzenesulfonamide (CID 97185991) is 4-[(1R)-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[(1R)-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[(1R)-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]benzenesulfonamide is C[C@@H](N[C@@H]1CCCc2ccccc21)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[(1R)-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]benzenesulfonamide?
The InChIKey is BUNMCGGXQJOPBJ-FZKQIMNGSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-13(14-9-11-16(12-10-14)23(19,21)22)20-18-8-4-6-15-5-2-3-7-17(15)18/h2-3,5,7,9-13,18,20H,4,6,8H2,1H3,(H2,19,21,22)/t13-,18-/m1/s1.
What are the key properties of 4-[(1R)-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]benzenesulfonamide?
4-[(1R)-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]benzenesulfonamide has a molecular weight of 330.45 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 97185991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).