N-(4-amino-2,5-dimethylphenyl)benzenesulfonamide

C14H16N2O2S — CID 827506

IUPACN-(4-amino-2,5-dimethylphenyl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccccc2)c(C)cc1N
InChIInChI=1S/C14H16N2O2S/c1-10-9-14(11(2)8-13(10)15)16-19(17,18)12-6-4-3-5-7-12/h3-9,16H,15H2,1-2H3
InChIKeyWFGZARUIRVUNDZ-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.69
Rot. Bonds3

About N-(4-amino-2,5-dimethylphenyl)benzenesulfonamide

N-(4-amino-2,5-dimethylphenyl)benzenesulfonamide (PubChem CID 827506) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-(4-amino-2,5-dimethylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-amino-2,5-dimethylphenyl)benzenesulfonamide
PubChem CID827506
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-(4-amino-2,5-dimethylphenyl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccccc2)c(C)cc1N
InChIInChI=1S/C14H16N2O2S/c1-10-9-14(11(2)8-13(10)15)16-19(17,18)12-6-4-3-5-7-12/h3-9,16H,15H2,1-2H3
InChIKeyWFGZARUIRVUNDZ-UHFFFAOYSA-N
XLogP2.69
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[5-(benzenesulfonamido)-4-fluoro-2-methylphenyl]benzenesulfonamide
CID 19431161
N-(2-amino-4,5-dimethylphenyl)-4-bromobenzenesulfonamide
CID 62099632
N-(4-amino-2,5-dimethylphenyl)methanesulfonamide
CID 103144685
1-amino-2,5-dimethyl-4-(sulfamoylamino)benzene
CID 103144711
N-(5-amino-2,4-dimethylphenyl)-4-cyanobenzenesulfonamide
CID 104757197
N-[4-(benzenesulfonamido)-3-methylnaphthalen-1-yl]benzenesulfonamide
CID 518129
N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 6470682
N-(2-amino-4,5-dimethoxyphenyl)benzenesulfonamide
CID 43550840
N-(5-amino-2-bromo-4-methylphenyl)-3-bromobenzenesulfonamide
CID 104814612
4-methyl-N-(2,4,5-trimethylphenyl)benzenesulfonamide
CID 59317382
N-(4-amino-2,5-dimethylphenyl)-4-bromo-2-fluorobenzenesulfonamide
CID 103144770
N-(2-amino-4-fluorophenyl)benzenesulfonamide
CID 16778352

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,5-dimethylphenyl)benzenesulfonamide?
The IUPAC name of N-(4-amino-2,5-dimethylphenyl)benzenesulfonamide (CID 827506) is N-(4-amino-2,5-dimethylphenyl)benzenesulfonamide.
What is the SMILES notation for N-(4-amino-2,5-dimethylphenyl)benzenesulfonamide?
The canonical SMILES for N-(4-amino-2,5-dimethylphenyl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccccc2)c(C)cc1N.
What is the InChIKey of N-(4-amino-2,5-dimethylphenyl)benzenesulfonamide?
The InChIKey is WFGZARUIRVUNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-10-9-14(11(2)8-13(10)15)16-19(17,18)12-6-4-3-5-7-12/h3-9,16H,15H2,1-2H3.
What are the key properties of N-(4-amino-2,5-dimethylphenyl)benzenesulfonamide?
N-(4-amino-2,5-dimethylphenyl)benzenesulfonamide has a molecular weight of 276.36 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,5-dimethylphenyl)benzenesulfonamide is sourced from PubChem (CID 827506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).