3-(aminomethyl)-4-phenylbenzenesulfonamide

C13H14N2O2S — CID 143636472

IUPAC3-(aminomethyl)-4-phenylbenzenesulfonamide
SMILESNCc1cc(S(N)(=O)=O)ccc1-c1ccccc1
InChIInChI=1S/C13H14N2O2S/c14-9-11-8-12(18(15,16)17)6-7-13(11)10-4-2-1-3-5-10/h1-8H,9,14H2,(H2,15,16,17)
InChIKeyIJBHKFISIWOGJU-UHFFFAOYSA-N
MW262.33 g/mol
LogP1.46
Rot. Bonds3

About 3-(aminomethyl)-4-phenylbenzenesulfonamide

3-(aminomethyl)-4-phenylbenzenesulfonamide (PubChem CID 143636472) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 3-(aminomethyl)-4-phenylbenzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-4-phenylbenzenesulfonamide
PubChem CID143636472
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name3-(aminomethyl)-4-phenylbenzenesulfonamide
SMILESNCc1cc(S(N)(=O)=O)ccc1-c1ccccc1
InChIInChI=1S/C13H14N2O2S/c14-9-11-8-12(18(15,16)17)6-7-13(11)10-4-2-1-3-5-10/h1-8H,9,14H2,(H2,15,16,17)
InChIKeyIJBHKFISIWOGJU-UHFFFAOYSA-N
XLogP1.46
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-phenylbenzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-4-phenylbenzenesulfonamide (CID 143636472) is 3-(aminomethyl)-4-phenylbenzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-4-phenylbenzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-4-phenylbenzenesulfonamide is NCc1cc(S(N)(=O)=O)ccc1-c1ccccc1.
What is the InChIKey of 3-(aminomethyl)-4-phenylbenzenesulfonamide?
The InChIKey is IJBHKFISIWOGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c14-9-11-8-12(18(15,16)17)6-7-13(11)10-4-2-1-3-5-10/h1-8H,9,14H2,(H2,15,16,17).
What are the key properties of 3-(aminomethyl)-4-phenylbenzenesulfonamide?
3-(aminomethyl)-4-phenylbenzenesulfonamide has a molecular weight of 262.33 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-phenylbenzenesulfonamide is sourced from PubChem (CID 143636472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).