N-(2-hydroxyethyl)-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C15H23NO3S — CID 43574607

IUPACN-(2-hydroxyethyl)-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCC(C)N(CCO)S(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H23NO3S/c1-12(2)16(9-10-17)20(18,19)15-8-7-13-5-3-4-6-14(13)11-15/h7-8,11-12,17H,3-6,9-10H2,1-2H3
InChIKeyCEKHVJSNXIPNHB-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.96
Rot. Bonds5

About N-(2-hydroxyethyl)-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-(2-hydroxyethyl)-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 43574607) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID43574607
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC NameN-(2-hydroxyethyl)-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCC(C)N(CCO)S(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H23NO3S/c1-12(2)16(9-10-17)20(18,19)15-8-7-13-5-3-4-6-14(13)11-15/h7-8,11-12,17H,3-6,9-10H2,1-2H3
InChIKeyCEKHVJSNXIPNHB-UHFFFAOYSA-N
XLogP1.96
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-N-propan-2-yl-2,3-dihydro-1H-indene-5-sulfonamide
CID 61348755
N-ethyl-N-(2-hydroxyethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 54878655
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 107483562
3-amino-4-hydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 43577710
3-bromo-N-(2-hydroxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 3702166
6-propan-2-ylsulfonyl-1,2,3,4-tetrahydronaphthalene
CID 117031949
N-[(2R)-1-hydroxypropan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 39086781
N-(3-aminopropyl)-N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 43136904
3-fluoro-N-(2-hydroxyethyl)-4-methoxy-N-propan-2-ylbenzenesulfonamide
CID 43574658
N-propan-2-yl-N-propyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421853
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 17468535
N-(2-aminoethyl)-N-methyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 61348924

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 43574607) is N-(2-hydroxyethyl)-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is CC(C)N(CCO)S(=O)(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-(2-hydroxyethyl)-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is CEKHVJSNXIPNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-12(2)16(9-10-17)20(18,19)15-8-7-13-5-3-4-6-14(13)11-15/h7-8,11-12,17H,3-6,9-10H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-(2-hydroxyethyl)-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 43574607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).