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

C13H20N2O3S — CID 102859145

IUPAC5-amino-N-cyclobutyl-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(N)cc1S(=O)(=O)N(CCO)C1CCC1
InChIInChI=1S/C13H20N2O3S/c1-10-5-6-11(14)9-13(10)19(17,18)15(7-8-16)12-3-2-4-12/h5-6,9,12,16H,2-4,7-8,14H2,1H3
InChIKeyYRGZNSQSDBMSDM-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.11
Rot. Bonds5

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

5-amino-N-cyclobutyl-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide (PubChem CID 102859145) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 5-amino-N-cyclobutyl-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-cyclobutyl-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
PubChem CID102859145
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name5-amino-N-cyclobutyl-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(N)cc1S(=O)(=O)N(CCO)C1CCC1
InChIInChI=1S/C13H20N2O3S/c1-10-5-6-11(14)9-13(10)19(17,18)15(7-8-16)12-3-2-4-12/h5-6,9,12,16H,2-4,7-8,14H2,1H3
InChIKeyYRGZNSQSDBMSDM-UHFFFAOYSA-N
XLogP1.11
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.11
H-Bond Donors ≤ 52
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 5-amino-N-cyclobutyl-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-cyclobutyl-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide (CID 102859145) is 5-amino-N-cyclobutyl-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-cyclobutyl-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-cyclobutyl-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide is Cc1ccc(N)cc1S(=O)(=O)N(CCO)C1CCC1.
What is the InChIKey of 5-amino-N-cyclobutyl-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide?
The InChIKey is YRGZNSQSDBMSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10-5-6-11(14)9-13(10)19(17,18)15(7-8-16)12-3-2-4-12/h5-6,9,12,16H,2-4,7-8,14H2,1H3.
What are the key properties of 5-amino-N-cyclobutyl-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide?
5-amino-N-cyclobutyl-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-cyclobutyl-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 102859145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).