2-[(dimethylamino)methyl]benzenesulfonamide

C9H14N2O2S — CID 43173640

IUPAC2-[(dimethylamino)methyl]benzenesulfonamide
SMILESCN(C)Cc1ccccc1S(N)(=O)=O
InChIInChI=1S/C9H14N2O2S/c1-11(2)7-8-5-3-4-6-9(8)14(10,12)13/h3-6H,7H2,1-2H3,(H2,10,12,13)
InChIKeyNRAOBJOUJXNRHS-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.40
Rot. Bonds3

About 2-[(dimethylamino)methyl]benzenesulfonamide

2-[(dimethylamino)methyl]benzenesulfonamide (PubChem CID 43173640) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]benzenesulfonamide
PubChem CID43173640
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name2-[(dimethylamino)methyl]benzenesulfonamide
SMILESCN(C)Cc1ccccc1S(N)(=O)=O
InChIInChI=1S/C9H14N2O2S/c1-11(2)7-8-5-3-4-6-9(8)14(10,12)13/h3-6H,7H2,1-2H3,(H2,10,12,13)
InChIKeyNRAOBJOUJXNRHS-UHFFFAOYSA-N
XLogP0.40
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]benzenesulfonamide?
The IUPAC name of 2-[(dimethylamino)methyl]benzenesulfonamide (CID 43173640) is 2-[(dimethylamino)methyl]benzenesulfonamide.
What is the SMILES notation for 2-[(dimethylamino)methyl]benzenesulfonamide?
The canonical SMILES for 2-[(dimethylamino)methyl]benzenesulfonamide is CN(C)Cc1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-[(dimethylamino)methyl]benzenesulfonamide?
The InChIKey is NRAOBJOUJXNRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-11(2)7-8-5-3-4-6-9(8)14(10,12)13/h3-6H,7H2,1-2H3,(H2,10,12,13).
What are the key properties of 2-[(dimethylamino)methyl]benzenesulfonamide?
2-[(dimethylamino)methyl]benzenesulfonamide has a molecular weight of 214.29 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]benzenesulfonamide is sourced from PubChem (CID 43173640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).