3-amino-N,N-bis(2-hydroxyethyl)benzenesulfonamide

C10H16N2O4S — CID 4391

IUPAC3-amino-N,N-bis(2-hydroxyethyl)benzenesulfonamide
SMILESNc1cccc(S(=O)(=O)N(CCO)CCO)c1
InChIInChI=1S/C10H16N2O4S/c11-9-2-1-3-10(8-9)17(15,16)12(4-6-13)5-7-14/h1-3,8,13-14H,4-7,11H2
InChIKeyLHDUDYKYYNDASR-UHFFFAOYSA-N
MW260.31 g/mol
LogP-0.76
Rot. Bonds6

About 3-amino-N,N-bis(2-hydroxyethyl)benzenesulfonamide

3-amino-N,N-bis(2-hydroxyethyl)benzenesulfonamide (PubChem CID 4391) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is 3-amino-N,N-bis(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N,N-bis(2-hydroxyethyl)benzenesulfonamide
PubChem CID4391
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Name3-amino-N,N-bis(2-hydroxyethyl)benzenesulfonamide
SMILESNc1cccc(S(=O)(=O)N(CCO)CCO)c1
InChIInChI=1S/C10H16N2O4S/c11-9-2-1-3-10(8-9)17(15,16)12(4-6-13)5-7-14/h1-3,8,13-14H,4-7,11H2
InChIKeyLHDUDYKYYNDASR-UHFFFAOYSA-N
XLogP-0.76
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-bis(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 3-amino-N,N-bis(2-hydroxyethyl)benzenesulfonamide (CID 4391) is 3-amino-N,N-bis(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N,N-bis(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-N,N-bis(2-hydroxyethyl)benzenesulfonamide is Nc1cccc(S(=O)(=O)N(CCO)CCO)c1.
What is the InChIKey of 3-amino-N,N-bis(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is LHDUDYKYYNDASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S/c11-9-2-1-3-10(8-9)17(15,16)12(4-6-13)5-7-14/h1-3,8,13-14H,4-7,11H2.
What are the key properties of 3-amino-N,N-bis(2-hydroxyethyl)benzenesulfonamide?
3-amino-N,N-bis(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 260.31 g/mol, XLogP of -0.76, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-bis(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 4391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).