N-(2-hydroxyethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butane-1-sulfonamide

C16H25NO3S — CID 111440055

IUPACN-(2-hydroxyethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(CCO)C1CCCc2ccccc21
InChIInChI=1S/C16H25NO3S/c1-2-3-13-21(19,20)17(11-12-18)16-10-6-8-14-7-4-5-9-15(14)16/h4-5,7,9,16,18H,2-3,6,8,10-13H2,1H3
InChIKeyJJRBDJQXVZJHCY-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.49
Rot. Bonds7

About N-(2-hydroxyethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butane-1-sulfonamide

N-(2-hydroxyethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butane-1-sulfonamide (PubChem CID 111440055) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butane-1-sulfonamide
PubChem CID111440055
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC NameN-(2-hydroxyethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(CCO)C1CCCc2ccccc21
InChIInChI=1S/C16H25NO3S/c1-2-3-13-21(19,20)17(11-12-18)16-10-6-8-14-7-4-5-9-15(14)16/h4-5,7,9,16,18H,2-3,6,8,10-13H2,1H3
InChIKeyJJRBDJQXVZJHCY-UHFFFAOYSA-N
XLogP2.49
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-methylsulfonylpropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol
CID 111333650
2-[2-methylsulfonylethyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethanol
CID 96547860
2-[propyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid
CID 65064550
3-[3-methoxypropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 111799443
N-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxyethyl)-2-propan-2-yl-1H-imidazole-5-sulfonamide
CID 71911311
2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid
CID 118026509
(1R)-N-[2-(4-bromophenyl)sulfonylethyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 8552375
2-amino-N,2-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
CID 60937239
N-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]ethyl]ethanesulfonamide
CID 95627739
5-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2,2-dimethylpentanenitrile
CID 111565121
2-bromo-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 9301292
3-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]propan-1-ol
CID 111333724

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butane-1-sulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butane-1-sulfonamide (CID 111440055) is N-(2-hydroxyethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butane-1-sulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butane-1-sulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butane-1-sulfonamide is CCCCS(=O)(=O)N(CCO)C1CCCc2ccccc21.
What is the InChIKey of N-(2-hydroxyethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butane-1-sulfonamide?
The InChIKey is JJRBDJQXVZJHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-2-3-13-21(19,20)17(11-12-18)16-10-6-8-14-7-4-5-9-15(14)16/h4-5,7,9,16,18H,2-3,6,8,10-13H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butane-1-sulfonamide?
N-(2-hydroxyethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butane-1-sulfonamide has a molecular weight of 311.45 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butane-1-sulfonamide is sourced from PubChem (CID 111440055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).