4-[2-[(7-hydroxy-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]benzenesulfonamide

C19H24N2O3S — CID 144623345

IUPAC4-[2-[(7-hydroxy-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]benzenesulfonamide
SMILESCC1c2cc(O)ccc2CCC1NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H24N2O3S/c1-13-18-12-16(22)6-4-15(18)5-9-19(13)21-11-10-14-2-7-17(8-3-14)25(20,23)24/h2-4,6-8,12-13,19,21-22H,5,9-11H2,1H3,(H2,20,23,24)
InChIKeyBROSTVBWIOWCLL-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.29
Rot. Bonds5

About 4-[2-[(7-hydroxy-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]benzenesulfonamide

4-[2-[(7-hydroxy-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]benzenesulfonamide (PubChem CID 144623345) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 4-[2-[(7-hydroxy-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(7-hydroxy-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]benzenesulfonamide
PubChem CID144623345
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name4-[2-[(7-hydroxy-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]benzenesulfonamide
SMILESCC1c2cc(O)ccc2CCC1NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H24N2O3S/c1-13-18-12-16(22)6-4-15(18)5-9-19(13)21-11-10-14-2-7-17(8-3-14)25(20,23)24/h2-4,6-8,12-13,19,21-22H,5,9-11H2,1H3,(H2,20,23,24)
InChIKeyBROSTVBWIOWCLL-UHFFFAOYSA-N
XLogP2.29
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[2-[(7-hydroxy-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]benzenesulfonamide with MolForge

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Related Compounds

4-[2-[(2,3-dimethylcyclohexyl)amino]ethyl]benzenesulfonamide
CID 64760901
4-[2-[(3-methylcyclopentyl)amino]ethyl]benzenesulfonamide
CID 64500491
4-[2-(cyclohexylamino)ethyl]benzenesulfonamide
CID 54995569
4-[2-[(4-aminocyclohexyl)amino]ethyl]benzenesulfonamide
CID 79742039
N-[2-(4-hydroxyphenyl)ethyl]-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108503154
4-[2-(thian-4-ylamino)ethyl]benzenesulfonamide
CID 54995674
4-[2-[(3-aminocyclobutyl)amino]ethyl]benzenesulfonamide
CID 80560838
4-[2-[(3-methoxycyclobutyl)amino]ethyl]benzenesulfonamide
CID 104872021
4-[2-[(1-propylpiperidin-4-yl)amino]ethyl]benzenesulfonamide
CID 119164939
2-(4-sulfamoylphenyl)ethylcarbamodithioic acid
CID 82593514
4-[2-[(3-methoxycyclohexyl)amino]ethyl]benzenesulfonamide
CID 106872019
(2S)-2-amino-3-(4-hydroxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 68795830

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(7-hydroxy-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(7-hydroxy-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]benzenesulfonamide (CID 144623345) is 4-[2-[(7-hydroxy-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(7-hydroxy-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(7-hydroxy-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]benzenesulfonamide is CC1c2cc(O)ccc2CCC1NCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[2-[(7-hydroxy-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]benzenesulfonamide?
The InChIKey is BROSTVBWIOWCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-13-18-12-16(22)6-4-15(18)5-9-19(13)21-11-10-14-2-7-17(8-3-14)25(20,23)24/h2-4,6-8,12-13,19,21-22H,5,9-11H2,1H3,(H2,20,23,24).
What are the key properties of 4-[2-[(7-hydroxy-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]benzenesulfonamide?
4-[2-[(7-hydroxy-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]benzenesulfonamide has a molecular weight of 360.48 g/mol, XLogP of 2.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(7-hydroxy-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 144623345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).