N-(3,5-dimethylphenyl)naphthalene-2-sulfonamide

C18H17NO2S — CID 874153

IUPACN-(3,5-dimethylphenyl)naphthalene-2-sulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C18H17NO2S/c1-13-9-14(2)11-17(10-13)19-22(20,21)18-8-7-15-5-3-4-6-16(15)12-18/h3-12,19H,1-2H3
InChIKeyZSDJLKZEGCZDGX-UHFFFAOYSA-N
MW311.41 g/mol
LogP4.26
Rot. Bonds3

About N-(3,5-dimethylphenyl)naphthalene-2-sulfonamide

N-(3,5-dimethylphenyl)naphthalene-2-sulfonamide (PubChem CID 874153) has the molecular formula C18H17NO2S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)naphthalene-2-sulfonamide
PubChem CID874153
Molecular FormulaC18H17NO2S
Molecular Weight311.41 g/mol
Exact Mass311.10
IUPAC NameN-(3,5-dimethylphenyl)naphthalene-2-sulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C18H17NO2S/c1-13-9-14(2)11-17(10-13)19-22(20,21)18-8-7-15-5-3-4-6-16(15)12-18/h3-12,19H,1-2H3
InChIKeyZSDJLKZEGCZDGX-UHFFFAOYSA-N
XLogP4.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylphenyl)naphthalene-2-sulfonamide
CID 965256
4-(benzenesulfonamido)-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 3385972
N-(4-propan-2-ylphenyl)naphthalene-2-sulfonamide
CID 3997695
1-N-methyl-4-N-naphthalen-2-ylbenzene-1,4-disulfonamide
CID 86922484
N-(2-methylphenyl)naphthalene-2-sulfonamide
CID 3308551
N-[4-(dimethylsulfamoyl)phenyl]naphthalene-2-sulfonamide
CID 2098625
N-(3,5-dichloro-4-hydroxyphenyl)naphthalene-2-sulfonamide
CID 1137620
3-bromo-N-naphthalen-2-ylbenzenesulfonamide
CID 7938660
N-[4-(4-bromophenoxy)phenyl]naphthalene-2-sulfonamide
CID 1217806
N-pyridin-3-ylnaphthalene-2-sulfonamide
CID 849014
N-(3,5-dimethylphenyl)-3,4-dimethoxybenzenesulfonamide
CID 4828069
N-[5-(naphthalen-2-ylsulfonylamino)naphthalen-1-yl]naphthalene-2-sulfonamide
CID 3407912

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)naphthalene-2-sulfonamide?
The IUPAC name of N-(3,5-dimethylphenyl)naphthalene-2-sulfonamide (CID 874153) is N-(3,5-dimethylphenyl)naphthalene-2-sulfonamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)naphthalene-2-sulfonamide?
The canonical SMILES for N-(3,5-dimethylphenyl)naphthalene-2-sulfonamide is Cc1cc(C)cc(NS(=O)(=O)c2ccc3ccccc3c2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)naphthalene-2-sulfonamide?
The InChIKey is ZSDJLKZEGCZDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2S/c1-13-9-14(2)11-17(10-13)19-22(20,21)18-8-7-15-5-3-4-6-16(15)12-18/h3-12,19H,1-2H3.
What are the key properties of N-(3,5-dimethylphenyl)naphthalene-2-sulfonamide?
N-(3,5-dimethylphenyl)naphthalene-2-sulfonamide has a molecular weight of 311.41 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)naphthalene-2-sulfonamide is sourced from PubChem (CID 874153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).