N-(2-hydroxyethyl)-N-phenylnaphthalene-2-sulfonamide

C18H17NO3S — CID 38869062

IUPACN-(2-hydroxyethyl)-N-phenylnaphthalene-2-sulfonamide
SMILESO=S(=O)(c1ccc2ccccc2c1)N(CCO)c1ccccc1
InChIInChI=1S/C18H17NO3S/c20-13-12-19(17-8-2-1-3-9-17)23(21,22)18-11-10-15-6-4-5-7-16(15)14-18/h1-11,14,20H,12-13H2
InChIKeyAGABUXAPPDRFAD-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.03
Rot. Bonds5

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

N-(2-hydroxyethyl)-N-phenylnaphthalene-2-sulfonamide (PubChem CID 38869062) has the molecular formula C18H17NO3S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-phenylnaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-phenylnaphthalene-2-sulfonamide
PubChem CID38869062
Molecular FormulaC18H17NO3S
Molecular Weight327.41 g/mol
Exact Mass327.09
IUPAC NameN-(2-hydroxyethyl)-N-phenylnaphthalene-2-sulfonamide
SMILESO=S(=O)(c1ccc2ccccc2c1)N(CCO)c1ccccc1
InChIInChI=1S/C18H17NO3S/c20-13-12-19(17-8-2-1-3-9-17)23(21,22)18-11-10-15-6-4-5-7-16(15)14-18/h1-11,14,20H,12-13H2
InChIKeyAGABUXAPPDRFAD-UHFFFAOYSA-N
XLogP3.03
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide
CID 38868903
N-[3-(diethylamino)-2-hydroxypropyl]-N-phenylnaphthalene-2-sulfonamide
CID 2915137
N-ethyl-N-(3-hydroxypropyl)naphthalene-2-sulfonamide
CID 115755343
2-[N-naphthalen-2-ylsulfonyl-3-(trifluoromethyl)anilino]acetic acid
CID 100531866
3-[2-[2-carboxyethyl(naphthalen-2-ylsulfonyl)amino]ethyl-naphthalen-2-ylsulfonylamino]propanoic acid
CID 151966350
2-(3-ethoxy-N-naphthalen-2-ylsulfonylanilino)acetic acid
CID 100535124
N-(2-hydroxy-3-piperidin-1-ylpropyl)-N-phenylnaphthalene-2-sulfonamide
CID 3293139
ethyl 2-(4-methoxy-N-naphthalen-2-ylsulfonylanilino)acetate
CID 100531336
N-(4-methylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide
CID 100530275
methyl 2-(3,4-dimethyl-N-naphthalen-2-ylsulfonylanilino)acetate
CID 100530643
N-(3-bromophenyl)-N-prop-2-enylnaphthalene-2-sulfonamide
CID 100531068
2-fluoro-N-(2-hydroxyethyl)-4-methyl-N-phenylbenzenesulfonamide
CID 111104648

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-phenylnaphthalene-2-sulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-N-phenylnaphthalene-2-sulfonamide (CID 38869062) is N-(2-hydroxyethyl)-N-phenylnaphthalene-2-sulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-phenylnaphthalene-2-sulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-phenylnaphthalene-2-sulfonamide is O=S(=O)(c1ccc2ccccc2c1)N(CCO)c1ccccc1.
What is the InChIKey of N-(2-hydroxyethyl)-N-phenylnaphthalene-2-sulfonamide?
The InChIKey is AGABUXAPPDRFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S/c20-13-12-19(17-8-2-1-3-9-17)23(21,22)18-11-10-15-6-4-5-7-16(15)14-18/h1-11,14,20H,12-13H2.
What are the key properties of N-(2-hydroxyethyl)-N-phenylnaphthalene-2-sulfonamide?
N-(2-hydroxyethyl)-N-phenylnaphthalene-2-sulfonamide has a molecular weight of 327.41 g/mol, XLogP of 3.03, 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-phenylnaphthalene-2-sulfonamide is sourced from PubChem (CID 38869062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).