4-amino-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide

C9H14N2O3S — CID 756041

IUPAC4-amino-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
SMILESCN(CCO)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C9H14N2O3S/c1-11(6-7-12)15(13,14)9-4-2-8(10)3-5-9/h2-5,12H,6-7,10H2,1H3
InChIKeyIFBDYRCQPHERQI-UHFFFAOYSA-N
MW230.29 g/mol
LogP-0.12
Rot. Bonds4

About 4-amino-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide

4-amino-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide (PubChem CID 756041) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is 4-amino-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
PubChem CID756041
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Name4-amino-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
SMILESCN(CCO)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C9H14N2O3S/c1-11(6-7-12)15(13,14)9-4-2-8(10)3-5-9/h2-5,12H,6-7,10H2,1H3
InChIKeyIFBDYRCQPHERQI-UHFFFAOYSA-N
XLogP-0.12
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-amino-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide (CID 756041) is 4-amino-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide is CN(CCO)S(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide?
The InChIKey is IFBDYRCQPHERQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-11(6-7-12)15(13,14)9-4-2-8(10)3-5-9/h2-5,12H,6-7,10H2,1H3.
What are the key properties of 4-amino-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide?
4-amino-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide has a molecular weight of 230.29 g/mol, XLogP of -0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 756041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).