N-(2-hydroxyethyl)naphthalene-2-sulfonamide

C12H13NO3S — CID 15942936

IUPACN-(2-hydroxyethyl)naphthalene-2-sulfonamide
SMILESO=S(=O)(NCCO)c1ccc2ccccc2c1
InChIInChI=1S/C12H13NO3S/c14-8-7-13-17(15,16)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13-14H,7-8H2
InChIKeyOAGRHPAALVOYFV-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.11
Rot. Bonds4

About N-(2-hydroxyethyl)naphthalene-2-sulfonamide

N-(2-hydroxyethyl)naphthalene-2-sulfonamide (PubChem CID 15942936) has the molecular formula C12H13NO3S and a molecular weight of 251.31 g/mol. Its IUPAC name is N-(2-hydroxyethyl)naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)naphthalene-2-sulfonamide
PubChem CID15942936
Molecular FormulaC12H13NO3S
Molecular Weight251.31 g/mol
Exact Mass251.06
IUPAC NameN-(2-hydroxyethyl)naphthalene-2-sulfonamide
SMILESO=S(=O)(NCCO)c1ccc2ccccc2c1
InChIInChI=1S/C12H13NO3S/c14-8-7-13-17(15,16)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13-14H,7-8H2
InChIKeyOAGRHPAALVOYFV-UHFFFAOYSA-N
XLogP1.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Naphthalene-2-sulfonamido)acetic acid
CID 702481
3-(Naphthalene-2-sulfonamido)propanoic acid
CID 362740
N-(oxolan-2-ylmethyl)naphthalene-2-sulfonamide
CID 2850704
N-(2-Hydroxyethyl)-4-methylbenzenesulfonamide
CID 1895595
N-[3-(dimethylamino)propyl]naphthalene-2-sulfonamide
CID 2200900
n-Methylnaphthalene-2-sulfonamide
CID 233072
n-Hydroxy-2-(naphthalene-2-sulfonylamino)-acetamide
CID 57398187
2-[(2-Naphthylsulfonyl)amino]ethyl dihydrogen phosphate
CID 11473003
Methyl 3-[(2-naphthylsulfonyl)amino]propanoate
CID 3913914
N-(3-isopropoxypropyl)-2-naphthalenesulfonamide
CID 2968187
2-(5,6,7,8-Tetrahydronaphthalene-2-sulfonamido)acetic acid
CID 4868383
N-(4-hydroxybutyl)-4-phenyl-3-(trifluoromethyl)benzenesulfonamide
CID 44418720

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)naphthalene-2-sulfonamide?
The IUPAC name of N-(2-hydroxyethyl)naphthalene-2-sulfonamide (CID 15942936) is N-(2-hydroxyethyl)naphthalene-2-sulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)naphthalene-2-sulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)naphthalene-2-sulfonamide is O=S(=O)(NCCO)c1ccc2ccccc2c1.
What is the InChIKey of N-(2-hydroxyethyl)naphthalene-2-sulfonamide?
The InChIKey is OAGRHPAALVOYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3S/c14-8-7-13-17(15,16)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13-14H,7-8H2.
What are the key properties of N-(2-hydroxyethyl)naphthalene-2-sulfonamide?
N-(2-hydroxyethyl)naphthalene-2-sulfonamide has a molecular weight of 251.31 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)naphthalene-2-sulfonamide is sourced from PubChem (CID 15942936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).