2-(aminomethyl)benzenesulfonamide

C7H10N2O2S — CID 16795163

IUPAC2-(aminomethyl)benzenesulfonamide
SMILESNCc1ccccc1S(N)(=O)=O
InChIInChI=1S/C7H10N2O2S/c8-5-6-3-1-2-4-7(6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)
InChIKeyNDRZWXBIKCFBSU-UHFFFAOYSA-N
MW186.24 g/mol
LogP-0.21
Rot. Bonds2

About 2-(aminomethyl)benzenesulfonamide

2-(aminomethyl)benzenesulfonamide (PubChem CID 16795163) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 2-(aminomethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)benzenesulfonamide
PubChem CID16795163
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name2-(aminomethyl)benzenesulfonamide
SMILESNCc1ccccc1S(N)(=O)=O
InChIInChI=1S/C7H10N2O2S/c8-5-6-3-1-2-4-7(6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)
InChIKeyNDRZWXBIKCFBSU-UHFFFAOYSA-N
XLogP-0.21
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)benzenesulfonamide?
The IUPAC name of 2-(aminomethyl)benzenesulfonamide (CID 16795163) is 2-(aminomethyl)benzenesulfonamide.
What is the SMILES notation for 2-(aminomethyl)benzenesulfonamide?
The canonical SMILES for 2-(aminomethyl)benzenesulfonamide is NCc1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-(aminomethyl)benzenesulfonamide?
The InChIKey is NDRZWXBIKCFBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c8-5-6-3-1-2-4-7(6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11).
What are the key properties of 2-(aminomethyl)benzenesulfonamide?
2-(aminomethyl)benzenesulfonamide has a molecular weight of 186.24 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)benzenesulfonamide is sourced from PubChem (CID 16795163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).