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

C9H14N2O3S — CID 3052695

IUPAC4-amino-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
SMILESCc1cc(N)ccc1S(=O)(=O)NCCO
InChIInChI=1S/C9H14N2O3S/c1-7-6-8(10)2-3-9(7)15(13,14)11-4-5-12/h2-3,6,11-12H,4-5,10H2,1H3
InChIKeyXZKDKBLWOVZGFR-UHFFFAOYSA-N
MW230.29 g/mol
LogP-0.15
Rot. Bonds4

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

4-amino-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide (PubChem CID 3052695) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is 4-amino-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
PubChem CID3052695
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Name4-amino-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
SMILESCc1cc(N)ccc1S(=O)(=O)NCCO
InChIInChI=1S/C9H14N2O3S/c1-7-6-8(10)2-3-9(7)15(13,14)11-4-5-12/h2-3,6,11-12H,4-5,10H2,1H3
InChIKeyXZKDKBLWOVZGFR-UHFFFAOYSA-N
XLogP-0.15
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
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)-2-methylbenzenesulfonamide?
The IUPAC name of 4-amino-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide (CID 3052695) is 4-amino-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide is Cc1cc(N)ccc1S(=O)(=O)NCCO.
What is the InChIKey of 4-amino-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide?
The InChIKey is XZKDKBLWOVZGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-7-6-8(10)2-3-9(7)15(13,14)11-4-5-12/h2-3,6,11-12H,4-5,10H2,1H3.
What are the key properties of 4-amino-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide?
4-amino-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide has a molecular weight of 230.29 g/mol, XLogP of -0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 3052695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).