N-ethyl-N-(2-methyl-3-nitrophenyl)naphthalene-2-sulfonamide

C19H18N2O4S — CID 100534438

IUPACN-ethyl-N-(2-methyl-3-nitrophenyl)naphthalene-2-sulfonamide
SMILESCCN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H18N2O4S/c1-3-20(18-9-6-10-19(14(18)2)21(22)23)26(24,25)17-12-11-15-7-4-5-8-16(15)13-17/h4-13H,3H2,1-2H3
InChIKeyKZBDEZRZZTVBDK-UHFFFAOYSA-N
MW370.43 g/mol
LogP4.27
Rot. Bonds5

About N-ethyl-N-(2-methyl-3-nitrophenyl)naphthalene-2-sulfonamide

N-ethyl-N-(2-methyl-3-nitrophenyl)naphthalene-2-sulfonamide (PubChem CID 100534438) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-ethyl-N-(2-methyl-3-nitrophenyl)naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(2-methyl-3-nitrophenyl)naphthalene-2-sulfonamide
PubChem CID100534438
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC NameN-ethyl-N-(2-methyl-3-nitrophenyl)naphthalene-2-sulfonamide
SMILESCCN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H18N2O4S/c1-3-20(18-9-6-10-19(14(18)2)21(22)23)26(24,25)17-12-11-15-7-4-5-8-16(15)13-17/h4-13H,3H2,1-2H3
InChIKeyKZBDEZRZZTVBDK-UHFFFAOYSA-N
XLogP4.27
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-(2-methoxyphenyl)naphthalene-2-sulfonamide
CID 100532213
2,5-dichloro-N-ethyl-N-(2-methyl-3-nitrophenyl)benzenesulfonamide
CID 100508845
N-(2,5-dimethylphenyl)-N-ethylnaphthalene-2-sulfonamide
CID 100530394
N-(2,3-dimethylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide
CID 100532351
2-(3-chloro-2-methyl-N-naphthalen-2-ylsulfonylanilino)acetic acid
CID 100533072
ethyl 2-(N-naphthalen-2-ylsulfonyl-3-nitroanilino)acetate
CID 100533956
ethyl 2-(N-(4-acetamidophenyl)sulfonyl-2-methyl-3-nitroanilino)acetate
CID 100500698
4-fluoro-N-methyl-N-(2-methyl-3-nitrophenyl)benzenesulfonamide
CID 100504493
N-ethyl-N-(2-methyl-5-nitrophenyl)-4-nitrobenzenesulfonamide
CID 100528608
2-(2-methyl-N-(2-methyl-5-nitrophenyl)sulfonyl-3-nitroanilino)acetic acid
CID 100540021
4-chloro-N-ethyl-3-nitro-N-phenylbenzenesulfonamide
CID 5019418
N-(2,6-dimethylphenyl)-N-ethyl-4-nitrobenzenesulfonamide
CID 100525104

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methyl-3-nitrophenyl)naphthalene-2-sulfonamide?
The IUPAC name of N-ethyl-N-(2-methyl-3-nitrophenyl)naphthalene-2-sulfonamide (CID 100534438) is N-ethyl-N-(2-methyl-3-nitrophenyl)naphthalene-2-sulfonamide.
What is the SMILES notation for N-ethyl-N-(2-methyl-3-nitrophenyl)naphthalene-2-sulfonamide?
The canonical SMILES for N-ethyl-N-(2-methyl-3-nitrophenyl)naphthalene-2-sulfonamide is CCN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-ethyl-N-(2-methyl-3-nitrophenyl)naphthalene-2-sulfonamide?
The InChIKey is KZBDEZRZZTVBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-3-20(18-9-6-10-19(14(18)2)21(22)23)26(24,25)17-12-11-15-7-4-5-8-16(15)13-17/h4-13H,3H2,1-2H3.
What are the key properties of N-ethyl-N-(2-methyl-3-nitrophenyl)naphthalene-2-sulfonamide?
N-ethyl-N-(2-methyl-3-nitrophenyl)naphthalene-2-sulfonamide has a molecular weight of 370.43 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methyl-3-nitrophenyl)naphthalene-2-sulfonamide is sourced from PubChem (CID 100534438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).