N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanesulfonamide

C12H17NO2S — CID 17388085

IUPACN-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCCc2ccccc21
InChIInChI=1S/C12H17NO2S/c1-2-16(14,15)13-12-9-5-7-10-6-3-4-8-11(10)12/h3-4,6,8,12-13H,2,5,7,9H2,1H3
InChIKeyNCZRUPLOQLHCTN-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.00
Rot. Bonds3

About N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanesulfonamide

N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanesulfonamide (PubChem CID 17388085) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanesulfonamide
PubChem CID17388085
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC NameN-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCCc2ccccc21
InChIInChI=1S/C12H17NO2S/c1-2-16(14,15)13-12-9-5-7-10-6-3-4-8-11(10)12/h3-4,6,8,12-13H,2,5,7,9H2,1H3
InChIKeyNCZRUPLOQLHCTN-UHFFFAOYSA-N
XLogP2.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanesulfonamide
CID 79578857
N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 4650012
2-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanesulfonamide
CID 95733764
1-(4-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide
CID 92679624
1-(sulfamoylamino)-1,2,3,4-tetrahydronaphthalene
CID 45117542
N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)methanesulfonamide
CID 71934404
sodium N-(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamate
CID 67463776
1-(4-bromophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 43885248
1-(2-fluorophenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide
CID 94013011
methyl 1-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoylmethyl)cyclopropane-1-carboxylate
CID 126823488
1-(3-chlorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 43906029
1-(1,2-benzoxazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 90624657

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanesulfonamide?
The IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanesulfonamide (CID 17388085) is N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanesulfonamide.
What is the SMILES notation for N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanesulfonamide?
The canonical SMILES for N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanesulfonamide is CCS(=O)(=O)NC1CCCc2ccccc21.
What is the InChIKey of N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanesulfonamide?
The InChIKey is NCZRUPLOQLHCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-2-16(14,15)13-12-9-5-7-10-6-3-4-8-11(10)12/h3-4,6,8,12-13H,2,5,7,9H2,1H3.
What are the key properties of N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanesulfonamide?
N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanesulfonamide has a molecular weight of 239.34 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanesulfonamide is sourced from PubChem (CID 17388085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).