4-(aminomethyl)-3-methylbenzenesulfonamide

C8H12N2O2S — CID 86811731

IUPAC4-(aminomethyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)ccc1CN
InChIInChI=1S/C8H12N2O2S/c1-6-4-8(13(10,11)12)3-2-7(6)5-9/h2-4H,5,9H2,1H3,(H2,10,11,12)
InChIKeyXSUJUHBMCONRDB-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.10
Rot. Bonds2

About 4-(aminomethyl)-3-methylbenzenesulfonamide

4-(aminomethyl)-3-methylbenzenesulfonamide (PubChem CID 86811731) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 4-(aminomethyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-3-methylbenzenesulfonamide
PubChem CID86811731
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name4-(aminomethyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)ccc1CN
InChIInChI=1S/C8H12N2O2S/c1-6-4-8(13(10,11)12)3-2-7(6)5-9/h2-4H,5,9H2,1H3,(H2,10,11,12)
InChIKeyXSUJUHBMCONRDB-UHFFFAOYSA-N
XLogP0.10
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-methylbenzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-3-methylbenzenesulfonamide (CID 86811731) is 4-(aminomethyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-3-methylbenzenesulfonamide is Cc1cc(S(N)(=O)=O)ccc1CN.
What is the InChIKey of 4-(aminomethyl)-3-methylbenzenesulfonamide?
The InChIKey is XSUJUHBMCONRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-6-4-8(13(10,11)12)3-2-7(6)5-9/h2-4H,5,9H2,1H3,(H2,10,11,12).
What are the key properties of 4-(aminomethyl)-3-methylbenzenesulfonamide?
4-(aminomethyl)-3-methylbenzenesulfonamide has a molecular weight of 200.26 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 86811731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).