4-amino-N-(3-hydroxycyclobutyl)-2,6-dimethylbenzenesulfonamide

C12H18N2O3S — CID 79588779

IUPAC4-amino-N-(3-hydroxycyclobutyl)-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(N)cc(C)c1S(=O)(=O)NC1CC(O)C1
InChIInChI=1S/C12H18N2O3S/c1-7-3-9(13)4-8(2)12(7)18(16,17)14-10-5-11(15)6-10/h3-4,10-11,14-15H,5-6,13H2,1-2H3
InChIKeyLCSRXGHMLJZGRI-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.69
Rot. Bonds3

About 4-amino-N-(3-hydroxycyclobutyl)-2,6-dimethylbenzenesulfonamide

4-amino-N-(3-hydroxycyclobutyl)-2,6-dimethylbenzenesulfonamide (PubChem CID 79588779) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 4-amino-N-(3-hydroxycyclobutyl)-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(3-hydroxycyclobutyl)-2,6-dimethylbenzenesulfonamide
PubChem CID79588779
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name4-amino-N-(3-hydroxycyclobutyl)-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(N)cc(C)c1S(=O)(=O)NC1CC(O)C1
InChIInChI=1S/C12H18N2O3S/c1-7-3-9(13)4-8(2)12(7)18(16,17)14-10-5-11(15)6-10/h3-4,10-11,14-15H,5-6,13H2,1-2H3
InChIKeyLCSRXGHMLJZGRI-UHFFFAOYSA-N
XLogP0.69
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.69
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-(3-hydroxycyclobutyl)-2,6-dimethylbenzenesulfonamide?
The IUPAC name of 4-amino-N-(3-hydroxycyclobutyl)-2,6-dimethylbenzenesulfonamide (CID 79588779) is 4-amino-N-(3-hydroxycyclobutyl)-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(3-hydroxycyclobutyl)-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-(3-hydroxycyclobutyl)-2,6-dimethylbenzenesulfonamide is Cc1cc(N)cc(C)c1S(=O)(=O)NC1CC(O)C1.
What is the InChIKey of 4-amino-N-(3-hydroxycyclobutyl)-2,6-dimethylbenzenesulfonamide?
The InChIKey is LCSRXGHMLJZGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-7-3-9(13)4-8(2)12(7)18(16,17)14-10-5-11(15)6-10/h3-4,10-11,14-15H,5-6,13H2,1-2H3.
What are the key properties of 4-amino-N-(3-hydroxycyclobutyl)-2,6-dimethylbenzenesulfonamide?
4-amino-N-(3-hydroxycyclobutyl)-2,6-dimethylbenzenesulfonamide has a molecular weight of 270.35 g/mol, XLogP of 0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-hydroxycyclobutyl)-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 79588779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).