N-(3,4-dimethylphenyl)naphthalene-2-sulfonamide

C18H17NO2S — CID 965237

IUPACN-(3,4-dimethylphenyl)naphthalene-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1C
InChIInChI=1S/C18H17NO2S/c1-13-7-9-17(11-14(13)2)19-22(20,21)18-10-8-15-5-3-4-6-16(15)12-18/h3-12,19H,1-2H3
InChIKeyGEEZHZDEQZTMHC-UHFFFAOYSA-N
MW311.41 g/mol
LogP4.26
Rot. Bonds3

About N-(3,4-dimethylphenyl)naphthalene-2-sulfonamide

N-(3,4-dimethylphenyl)naphthalene-2-sulfonamide (PubChem CID 965237) has the molecular formula C18H17NO2S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)naphthalene-2-sulfonamide
PubChem CID965237
Molecular FormulaC18H17NO2S
Molecular Weight311.41 g/mol
Exact Mass311.10
IUPAC NameN-(3,4-dimethylphenyl)naphthalene-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1C
InChIInChI=1S/C18H17NO2S/c1-13-7-9-17(11-14(13)2)19-22(20,21)18-10-8-15-5-3-4-6-16(15)12-18/h3-12,19H,1-2H3
InChIKeyGEEZHZDEQZTMHC-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

6-Amino-2-naphthalenesulfonic acid
CID 7116
1,6-Cleve's acid
CID 8408
7-Amino-1,3-naphthalenedisulfonic acid
CID 6851
6-Amino-1,3-naphthalenedisulfonic acid
CID 8356
Cleve's acid
CID 8386
6-p-Toluidino-2-naphthalenesulfonic acid
CID 82178
N-Biphenyl-2-yl-4-methyl-benzenesulfonamide
CID 818647
4-Methyl-N-(4-methylphenyl)benzenesulfonamide
CID 69034
4-methyl-N-(naphthalen-2-yl)benzenesulfonamide
CID 224144
N-(3,4-Dimethylphenyl)-4-fluorobenzenesulfonamide
CID 295161
4-Aminonaphthalene-2-sulphonic acid
CID 67255
2,7-Naphthalenedisulfonic acid, 3-amino-
CID 66703

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)naphthalene-2-sulfonamide?
The IUPAC name of N-(3,4-dimethylphenyl)naphthalene-2-sulfonamide (CID 965237) is N-(3,4-dimethylphenyl)naphthalene-2-sulfonamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)naphthalene-2-sulfonamide?
The canonical SMILES for N-(3,4-dimethylphenyl)naphthalene-2-sulfonamide is Cc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)naphthalene-2-sulfonamide?
The InChIKey is GEEZHZDEQZTMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2S/c1-13-7-9-17(11-14(13)2)19-22(20,21)18-10-8-15-5-3-4-6-16(15)12-18/h3-12,19H,1-2H3.
What are the key properties of N-(3,4-dimethylphenyl)naphthalene-2-sulfonamide?
N-(3,4-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-(3,4-dimethylphenyl)naphthalene-2-sulfonamide is sourced from PubChem (CID 965237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).