N-[3-[(N-ethylanilino)methyl]phenyl]naphthalene-2-sulfonamide

C25H24N2O2S — CID 71738586

IUPACN-[3-[(N-ethylanilino)methyl]phenyl]naphthalene-2-sulfonamide
SMILESCCN(Cc1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1)c1ccccc1
InChIInChI=1S/C25H24N2O2S/c1-2-27(24-13-4-3-5-14-24)19-20-9-8-12-23(17-20)26-30(28,29)25-16-15-21-10-6-7-11-22(21)18-25/h3-18,26H,2,19H2,1H3
InChIKeyGPKSABNIFNKFFI-UHFFFAOYSA-N
MW416.55 g/mol
LogP5.67
Rot. Bonds7

About N-[3-[(N-ethylanilino)methyl]phenyl]naphthalene-2-sulfonamide

N-[3-[(N-ethylanilino)methyl]phenyl]naphthalene-2-sulfonamide (PubChem CID 71738586) has the molecular formula C25H24N2O2S and a molecular weight of 416.55 g/mol. Its IUPAC name is N-[3-[(N-ethylanilino)methyl]phenyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[(N-ethylanilino)methyl]phenyl]naphthalene-2-sulfonamide
PubChem CID71738586
Molecular FormulaC25H24N2O2S
Molecular Weight416.55 g/mol
Exact Mass416.16
IUPAC NameN-[3-[(N-ethylanilino)methyl]phenyl]naphthalene-2-sulfonamide
SMILESCCN(Cc1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1)c1ccccc1
InChIInChI=1S/C25H24N2O2S/c1-2-27(24-13-4-3-5-14-24)19-20-9-8-12-23(17-20)26-30(28,29)25-16-15-21-10-6-7-11-22(21)18-25/h3-18,26H,2,19H2,1H3
InChIKeyGPKSABNIFNKFFI-UHFFFAOYSA-N
XLogP5.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.55
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylphenyl)naphthalene-2-sulfonamide
CID 965256
N-[3-[[2-(3-methoxyphenyl)ethylamino]methyl]phenyl]naphthalene-2-sulfonamide
CID 71738660
N-(3-propylphenyl)benzenesulfonamide
CID 71064838
3-(naphthalen-2-ylsulfonylamino)benzamide
CID 18084662
4-ethoxy-N-naphthalen-2-ylbenzenesulfonamide
CID 7938656
1-N-methyl-4-N-naphthalen-2-ylbenzene-1,4-disulfonamide
CID 86922484
N-(3,5-dimethylphenyl)naphthalene-2-sulfonamide
CID 874153
N-[3-[[2-(3-methoxyphenoxy)ethylamino]methyl]phenyl]naphthalene-2-sulfonamide
CID 71738661
2-[benzyl(ethyl)amino]-5-[(3,4-difluorophenyl)sulfonylamino]benzoic acid
CID 50766424
N-[4-(dimethylsulfamoyl)phenyl]naphthalene-2-sulfonamide
CID 2098625
2-[4-(naphthalen-2-ylsulfonylamino)phenyl]acetic acid
CID 2412067
N-(3-benzylphenyl)-4-methylbenzenesulfonamide
CID 3765217

Frequently Asked Questions

What is the IUPAC name of N-[3-[(N-ethylanilino)methyl]phenyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[3-[(N-ethylanilino)methyl]phenyl]naphthalene-2-sulfonamide (CID 71738586) is N-[3-[(N-ethylanilino)methyl]phenyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[3-[(N-ethylanilino)methyl]phenyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[3-[(N-ethylanilino)methyl]phenyl]naphthalene-2-sulfonamide is CCN(Cc1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1)c1ccccc1.
What is the InChIKey of N-[3-[(N-ethylanilino)methyl]phenyl]naphthalene-2-sulfonamide?
The InChIKey is GPKSABNIFNKFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2S/c1-2-27(24-13-4-3-5-14-24)19-20-9-8-12-23(17-20)26-30(28,29)25-16-15-21-10-6-7-11-22(21)18-25/h3-18,26H,2,19H2,1H3.
What are the key properties of N-[3-[(N-ethylanilino)methyl]phenyl]naphthalene-2-sulfonamide?
N-[3-[(N-ethylanilino)methyl]phenyl]naphthalene-2-sulfonamide has a molecular weight of 416.55 g/mol, XLogP of 5.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(N-ethylanilino)methyl]phenyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 71738586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).