3-amino-N,N-diethyl-4-hydroxybenzenesulfonamide

C10H16N2O3S — CID 3871028

IUPAC3-amino-N,N-diethyl-4-hydroxybenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(O)c(N)c1
InChIInChI=1S/C10H16N2O3S/c1-3-12(4-2)16(14,15)8-5-6-10(13)9(11)7-8/h5-7,13H,3-4,11H2,1-2H3
InChIKeyRTALNXDPLAIQCQ-UHFFFAOYSA-N
MW244.32 g/mol
LogP1.00
Rot. Bonds4

About 3-amino-N,N-diethyl-4-hydroxybenzenesulfonamide

3-amino-N,N-diethyl-4-hydroxybenzenesulfonamide (PubChem CID 3871028) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 3-amino-N,N-diethyl-4-hydroxybenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N,N-diethyl-4-hydroxybenzenesulfonamide
PubChem CID3871028
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name3-amino-N,N-diethyl-4-hydroxybenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(O)c(N)c1
InChIInChI=1S/C10H16N2O3S/c1-3-12(4-2)16(14,15)8-5-6-10(13)9(11)7-8/h5-7,13H,3-4,11H2,1-2H3
InChIKeyRTALNXDPLAIQCQ-UHFFFAOYSA-N
XLogP1.00
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-diethyl-4-hydroxybenzenesulfonamide?
The IUPAC name of 3-amino-N,N-diethyl-4-hydroxybenzenesulfonamide (CID 3871028) is 3-amino-N,N-diethyl-4-hydroxybenzenesulfonamide.
What is the SMILES notation for 3-amino-N,N-diethyl-4-hydroxybenzenesulfonamide?
The canonical SMILES for 3-amino-N,N-diethyl-4-hydroxybenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(O)c(N)c1.
What is the InChIKey of 3-amino-N,N-diethyl-4-hydroxybenzenesulfonamide?
The InChIKey is RTALNXDPLAIQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-3-12(4-2)16(14,15)8-5-6-10(13)9(11)7-8/h5-7,13H,3-4,11H2,1-2H3.
What are the key properties of 3-amino-N,N-diethyl-4-hydroxybenzenesulfonamide?
3-amino-N,N-diethyl-4-hydroxybenzenesulfonamide has a molecular weight of 244.32 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-diethyl-4-hydroxybenzenesulfonamide is sourced from PubChem (CID 3871028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).