3-(methylamino)benzenesulfonamide

C7H10N2O2S — CID 22976826

IUPAC3-(methylamino)benzenesulfonamide
SMILESCNc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C7H10N2O2S/c1-9-6-3-2-4-7(5-6)12(8,10)11/h2-5,9H,1H3,(H2,8,10,11)
InChIKeyDPLHWJMPSDPIGT-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.38
Rot. Bonds2

About 3-(methylamino)benzenesulfonamide

3-(methylamino)benzenesulfonamide (PubChem CID 22976826) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 3-(methylamino)benzenesulfonamide.

Molecular Properties

Compound Name3-(methylamino)benzenesulfonamide
PubChem CID22976826
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name3-(methylamino)benzenesulfonamide
SMILESCNc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C7H10N2O2S/c1-9-6-3-2-4-7(5-6)12(8,10)11/h2-5,9H,1H3,(H2,8,10,11)
InChIKeyDPLHWJMPSDPIGT-UHFFFAOYSA-N
XLogP0.38
TPSA72.19 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 ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)benzenesulfonamide?
The IUPAC name of 3-(methylamino)benzenesulfonamide (CID 22976826) is 3-(methylamino)benzenesulfonamide.
What is the SMILES notation for 3-(methylamino)benzenesulfonamide?
The canonical SMILES for 3-(methylamino)benzenesulfonamide is CNc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-(methylamino)benzenesulfonamide?
The InChIKey is DPLHWJMPSDPIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-9-6-3-2-4-7(5-6)12(8,10)11/h2-5,9H,1H3,(H2,8,10,11).
What are the key properties of 3-(methylamino)benzenesulfonamide?
3-(methylamino)benzenesulfonamide has a molecular weight of 186.24 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)benzenesulfonamide is sourced from PubChem (CID 22976826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).