4-ethyl-N-(7-methylnaphthalen-1-yl)benzenesulfonamide

C19H19NO2S — CID 121419270

IUPAC4-ethyl-N-(7-methylnaphthalen-1-yl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2cccc3ccc(C)cc23)cc1
InChIInChI=1S/C19H19NO2S/c1-3-15-8-11-17(12-9-15)23(21,22)20-19-6-4-5-16-10-7-14(2)13-18(16)19/h4-13,20H,3H2,1-2H3
InChIKeyIWTRTJQGGKFZAH-UHFFFAOYSA-N
MW325.43 g/mol
LogP4.51
Rot. Bonds4

About 4-ethyl-N-(7-methylnaphthalen-1-yl)benzenesulfonamide

4-ethyl-N-(7-methylnaphthalen-1-yl)benzenesulfonamide (PubChem CID 121419270) has the molecular formula C19H19NO2S and a molecular weight of 325.43 g/mol. Its IUPAC name is 4-ethyl-N-(7-methylnaphthalen-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-(7-methylnaphthalen-1-yl)benzenesulfonamide
PubChem CID121419270
Molecular FormulaC19H19NO2S
Molecular Weight325.43 g/mol
Exact Mass325.11
IUPAC Name4-ethyl-N-(7-methylnaphthalen-1-yl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2cccc3ccc(C)cc23)cc1
InChIInChI=1S/C19H19NO2S/c1-3-15-8-11-17(12-9-15)23(21,22)20-19-6-4-5-16-10-7-14(2)13-18(16)19/h4-13,20H,3H2,1-2H3
InChIKeyIWTRTJQGGKFZAH-UHFFFAOYSA-N
XLogP4.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-N-(2-fluoro-5-methylphenyl)benzenesulfonamide
CID 7516558
2-[(4-ethylphenyl)sulfonylamino]-5-methylbenzoic acid
CID 51114828
4-ethyl-N-quinolin-5-ylbenzenesulfonamide
CID 3753530
N-[2-(difluoromethoxy)-5-methylphenyl]-4-ethylbenzenesulfonamide
CID 19684057
2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide
CID 3249164
N-[2-(3-chlorobenzoyl)-4-methylphenyl]-4-ethylbenzenesulfonamide
CID 70842369
N'-(4-ethylphenyl)sulfonyl-4-methylbenzenesulfonohydrazide
CID 9235680
1-ethyl-7-methylnaphthalene
CID 12778771
4-methyl-N-[7-[8-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)naphthalen-2-yl]naphthalen-1-yl]benzenesulfonamide
CID 132558307
N-(3-chloro-2-ethoxyphenyl)-4-methylbenzenesulfonamide
CID 169370534
ethane;1-ethyl-7-methylnaphthalene
CID 91014752
N-[5-(naphthalen-2-ylsulfonylamino)naphthalen-1-yl]naphthalene-2-sulfonamide
CID 3407912

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(7-methylnaphthalen-1-yl)benzenesulfonamide?
The IUPAC name of 4-ethyl-N-(7-methylnaphthalen-1-yl)benzenesulfonamide (CID 121419270) is 4-ethyl-N-(7-methylnaphthalen-1-yl)benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-(7-methylnaphthalen-1-yl)benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-(7-methylnaphthalen-1-yl)benzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2cccc3ccc(C)cc23)cc1.
What is the InChIKey of 4-ethyl-N-(7-methylnaphthalen-1-yl)benzenesulfonamide?
The InChIKey is IWTRTJQGGKFZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2S/c1-3-15-8-11-17(12-9-15)23(21,22)20-19-6-4-5-16-10-7-14(2)13-18(16)19/h4-13,20H,3H2,1-2H3.
What are the key properties of 4-ethyl-N-(7-methylnaphthalen-1-yl)benzenesulfonamide?
4-ethyl-N-(7-methylnaphthalen-1-yl)benzenesulfonamide has a molecular weight of 325.43 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(7-methylnaphthalen-1-yl)benzenesulfonamide is sourced from PubChem (CID 121419270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).