4-[(4-methylphenyl)methylamino]benzenesulfonamide

C14H16N2O2S — CID 2755708

IUPAC4-[(4-methylphenyl)methylamino]benzenesulfonamide
SMILESCc1ccc(CNc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C14H16N2O2S/c1-11-2-4-12(5-3-11)10-16-13-6-8-14(9-7-13)19(15,17)18/h2-9,16H,10H2,1H3,(H2,15,17,18)
InChIKeyYTMZVBZYPIINAF-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.25
Rot. Bonds4

About 4-[(4-methylphenyl)methylamino]benzenesulfonamide

4-[(4-methylphenyl)methylamino]benzenesulfonamide (PubChem CID 2755708) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 4-[(4-methylphenyl)methylamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(4-methylphenyl)methylamino]benzenesulfonamide
PubChem CID2755708
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name4-[(4-methylphenyl)methylamino]benzenesulfonamide
SMILESCc1ccc(CNc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C14H16N2O2S/c1-11-2-4-12(5-3-11)10-16-13-6-8-14(9-7-13)19(15,17)18/h2-9,16H,10H2,1H3,(H2,15,17,18)
InChIKeyYTMZVBZYPIINAF-UHFFFAOYSA-N
XLogP2.25
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenyl)methylamino]benzenesulfonamide?
The IUPAC name of 4-[(4-methylphenyl)methylamino]benzenesulfonamide (CID 2755708) is 4-[(4-methylphenyl)methylamino]benzenesulfonamide.
What is the SMILES notation for 4-[(4-methylphenyl)methylamino]benzenesulfonamide?
The canonical SMILES for 4-[(4-methylphenyl)methylamino]benzenesulfonamide is Cc1ccc(CNc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-[(4-methylphenyl)methylamino]benzenesulfonamide?
The InChIKey is YTMZVBZYPIINAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-11-2-4-12(5-3-11)10-16-13-6-8-14(9-7-13)19(15,17)18/h2-9,16H,10H2,1H3,(H2,15,17,18).
What are the key properties of 4-[(4-methylphenyl)methylamino]benzenesulfonamide?
4-[(4-methylphenyl)methylamino]benzenesulfonamide has a molecular weight of 276.36 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)methylamino]benzenesulfonamide is sourced from PubChem (CID 2755708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).