N-[3-(dimethylamino)phenyl]methanesulfonamide;3-hydroxy-N-phenylnaphthalene-2-carboxamide

C26H27N3O4S — CID 90862263

IUPACN-[3-(dimethylamino)phenyl]methanesulfonamide;3-hydroxy-N-phenylnaphthalene-2-carboxamide
SMILESCN(C)c1cccc(NS(C)(=O)=O)c1.O=C(Nc1ccccc1)c1cc2ccccc2cc1O
InChIInChI=1S/C17H13NO2.C9H14N2O2S/c19-16-11-13-7-5-4-6-12(13)10-15(16)17(20)18-14-8-2-1-3-9-14;1-11(2)9-6-4-5-8(7-9)10-14(3,12)13/h1-11,19H,(H,18,20);4-7,10H,1-3H3
InChIKeyCCABHDRVOYPXSP-UHFFFAOYSA-N
MW477.59 g/mol
LogP4.92
Rot. Bonds5

About N-[3-(dimethylamino)phenyl]methanesulfonamide;3-hydroxy-N-phenylnaphthalene-2-carboxamide

N-[3-(dimethylamino)phenyl]methanesulfonamide;3-hydroxy-N-phenylnaphthalene-2-carboxamide (PubChem CID 90862263) has the molecular formula C26H27N3O4S and a molecular weight of 477.59 g/mol. Its IUPAC name is N-[3-(dimethylamino)phenyl]methanesulfonamide;3-hydroxy-N-phenylnaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)phenyl]methanesulfonamide;3-hydroxy-N-phenylnaphthalene-2-carboxamide
PubChem CID90862263
Molecular FormulaC26H27N3O4S
Molecular Weight477.59 g/mol
Exact Mass477.17
IUPAC NameN-[3-(dimethylamino)phenyl]methanesulfonamide;3-hydroxy-N-phenylnaphthalene-2-carboxamide
SMILESCN(C)c1cccc(NS(C)(=O)=O)c1.O=C(Nc1ccccc1)c1cc2ccccc2cc1O
InChIInChI=1S/C17H13NO2.C9H14N2O2S/c19-16-11-13-7-5-4-6-12(13)10-15(16)17(20)18-14-8-2-1-3-9-14;1-11(2)9-6-4-5-8(7-9)10-14(3,12)13/h1-11,19H,(H,18,20);4-7,10H,1-3H3
InChIKeyCCABHDRVOYPXSP-UHFFFAOYSA-N
XLogP4.92
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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3-methyl-N-phenylnaphthalene-2-carboxamide
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5-chloro-N-[3-(dimethylamino)phenyl]-2-fluorobenzamide
CID 78912773
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CID 99951407
[3-(dimethylamino)phenyl]carbamic acid
CID 91129511
N-[3-(dimethylamino)phenyl]-2-fluoro-3-methylbenzamide
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CID 174776208

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)phenyl]methanesulfonamide;3-hydroxy-N-phenylnaphthalene-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)phenyl]methanesulfonamide;3-hydroxy-N-phenylnaphthalene-2-carboxamide (CID 90862263) is N-[3-(dimethylamino)phenyl]methanesulfonamide;3-hydroxy-N-phenylnaphthalene-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)phenyl]methanesulfonamide;3-hydroxy-N-phenylnaphthalene-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)phenyl]methanesulfonamide;3-hydroxy-N-phenylnaphthalene-2-carboxamide is CN(C)c1cccc(NS(C)(=O)=O)c1.O=C(Nc1ccccc1)c1cc2ccccc2cc1O.
What is the InChIKey of N-[3-(dimethylamino)phenyl]methanesulfonamide;3-hydroxy-N-phenylnaphthalene-2-carboxamide?
The InChIKey is CCABHDRVOYPXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2.C9H14N2O2S/c19-16-11-13-7-5-4-6-12(13)10-15(16)17(20)18-14-8-2-1-3-9-14;1-11(2)9-6-4-5-8(7-9)10-14(3,12)13/h1-11,19H,(H,18,20);4-7,10H,1-3H3.
What are the key properties of N-[3-(dimethylamino)phenyl]methanesulfonamide;3-hydroxy-N-phenylnaphthalene-2-carboxamide?
N-[3-(dimethylamino)phenyl]methanesulfonamide;3-hydroxy-N-phenylnaphthalene-2-carboxamide has a molecular weight of 477.59 g/mol, XLogP of 4.92, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)phenyl]methanesulfonamide;3-hydroxy-N-phenylnaphthalene-2-carboxamide is sourced from PubChem (CID 90862263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).