5-amino-N-(1-hydroxyethyl)-2-methylbenzenesulfonamide

C9H14N2O3S — CID 66751883

IUPAC5-amino-N-(1-hydroxyethyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(N)cc1S(=O)(=O)NC(C)O
InChIInChI=1S/C9H14N2O3S/c1-6-3-4-8(10)5-9(6)15(13,14)11-7(2)12/h3-5,7,11-12H,10H2,1-2H3
InChIKeyAWZFUHAPQGIKHV-UHFFFAOYSA-N
MW230.29 g/mol
LogP0.19
Rot. Bonds3

About 5-amino-N-(1-hydroxyethyl)-2-methylbenzenesulfonamide

5-amino-N-(1-hydroxyethyl)-2-methylbenzenesulfonamide (PubChem CID 66751883) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is 5-amino-N-(1-hydroxyethyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(1-hydroxyethyl)-2-methylbenzenesulfonamide
PubChem CID66751883
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Name5-amino-N-(1-hydroxyethyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(N)cc1S(=O)(=O)NC(C)O
InChIInChI=1S/C9H14N2O3S/c1-6-3-4-8(10)5-9(6)15(13,14)11-7(2)12/h3-5,7,11-12H,10H2,1-2H3
InChIKeyAWZFUHAPQGIKHV-UHFFFAOYSA-N
XLogP0.19
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-methyl-N-(4-methylpent-1-yn-3-yl)benzenesulfonamide
CID 114201966
5-amino-N-but-3-yn-2-yl-2-methylbenzenesulfonamide
CID 114414706
5-amino-2-methyl-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 43576401
5-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylbenzenesulfonamide
CID 107869104
5-amino-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 61106723
5-amino-N-(4-aminophenyl)-2-methylbenzenesulfonamide
CID 57346246
5-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-methylbenzenesulfonamide
CID 106181343
5-amino-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 106387556
5-amino-N-(2,6-dimethylphenyl)-2-methylbenzenesulfonamide
CID 29043173
5-amino-2-methyl-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 61474831
4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylbenzenesulfonamide
CID 79248112
5-amino-2-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 54936764

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1-hydroxyethyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(1-hydroxyethyl)-2-methylbenzenesulfonamide (CID 66751883) is 5-amino-N-(1-hydroxyethyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(1-hydroxyethyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(1-hydroxyethyl)-2-methylbenzenesulfonamide is Cc1ccc(N)cc1S(=O)(=O)NC(C)O.
What is the InChIKey of 5-amino-N-(1-hydroxyethyl)-2-methylbenzenesulfonamide?
The InChIKey is AWZFUHAPQGIKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-6-3-4-8(10)5-9(6)15(13,14)11-7(2)12/h3-5,7,11-12H,10H2,1-2H3.
What are the key properties of 5-amino-N-(1-hydroxyethyl)-2-methylbenzenesulfonamide?
5-amino-N-(1-hydroxyethyl)-2-methylbenzenesulfonamide has a molecular weight of 230.29 g/mol, XLogP of 0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1-hydroxyethyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 66751883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).