N,N-dimethyl-4-(methylamino)benzenesulfonamide

C9H14N2O2S — CID 23273927

IUPACN,N-dimethyl-4-(methylamino)benzenesulfonamide
SMILESCNc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C9H14N2O2S/c1-10-8-4-6-9(7-5-8)14(12,13)11(2)3/h4-7,10H,1-3H3
InChIKeyGZPBMGVKWGJDIF-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.98
Rot. Bonds3

About N,N-dimethyl-4-(methylamino)benzenesulfonamide

N,N-dimethyl-4-(methylamino)benzenesulfonamide (PubChem CID 23273927) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is N,N-dimethyl-4-(methylamino)benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(methylamino)benzenesulfonamide
PubChem CID23273927
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC NameN,N-dimethyl-4-(methylamino)benzenesulfonamide
SMILESCNc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C9H14N2O2S/c1-10-8-4-6-9(7-5-8)14(12,13)11(2)3/h4-7,10H,1-3H3
InChIKeyGZPBMGVKWGJDIF-UHFFFAOYSA-N
XLogP0.98
TPSA49.41 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 ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(methylamino)benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-(methylamino)benzenesulfonamide (CID 23273927) is N,N-dimethyl-4-(methylamino)benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-(methylamino)benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-(methylamino)benzenesulfonamide is CNc1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-(methylamino)benzenesulfonamide?
The InChIKey is GZPBMGVKWGJDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-10-8-4-6-9(7-5-8)14(12,13)11(2)3/h4-7,10H,1-3H3.
What are the key properties of N,N-dimethyl-4-(methylamino)benzenesulfonamide?
N,N-dimethyl-4-(methylamino)benzenesulfonamide has a molecular weight of 214.29 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(methylamino)benzenesulfonamide is sourced from PubChem (CID 23273927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).