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

C9H14N2O3S — CID 43258900

IUPAC2-amino-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCO)c(N)c1
InChIInChI=1S/C9H14N2O3S/c1-7-2-3-9(8(10)6-7)15(13,14)11-4-5-12/h2-3,6,11-12H,4-5,10H2,1H3
InChIKeyOWHHDJQSZROPQK-UHFFFAOYSA-N
MW230.29 g/mol
LogP-0.15
Rot. Bonds4

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

2-amino-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide (PubChem CID 43258900) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
PubChem CID43258900
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Name2-amino-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCO)c(N)c1
InChIInChI=1S/C9H14N2O3S/c1-7-2-3-9(8(10)6-7)15(13,14)11-4-5-12/h2-3,6,11-12H,4-5,10H2,1H3
InChIKeyOWHHDJQSZROPQK-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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Related Compounds

2-amino-4-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 63981145
2-amino-4-chloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43345872
2-amino-N-(2-ethoxyethyl)-4-methylbenzenesulfonamide
CID 43590960
3-[2-[(2-amino-4-methylphenyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 83109055
2-amino-N-[2-[ethyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide
CID 62636102
2-amino-4-methyl-N-prop-2-ynylbenzenesulfonamide
CID 61111569
2-amino-4-methyl-N-(3-phenylpropyl)benzenesulfonamide
CID 60905949
2-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylbenzenesulfonamide
CID 107843630
2-amino-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 61112895
2-amino-4-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
CID 61214867
2-amino-4-methyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 61106774
2-amino-N-(1-hydroxybutan-2-yl)-4-methylbenzenesulfonamide
CID 43498596

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide (CID 43258900) is 2-amino-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCCO)c(N)c1.
What is the InChIKey of 2-amino-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide?
The InChIKey is OWHHDJQSZROPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-7-2-3-9(8(10)6-7)15(13,14)11-4-5-12/h2-3,6,11-12H,4-5,10H2,1H3.
What are the key properties of 2-amino-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide?
2-amino-N-(2-hydroxyethyl)-4-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 2-amino-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 43258900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).