4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide

C13H20N2O3S — CID 114628487

IUPAC4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide
SMILESCc1cc(N)ccc1S(=O)(=O)NC1CC(O)C1(C)C
InChIInChI=1S/C13H20N2O3S/c1-8-6-9(14)4-5-10(8)19(17,18)15-11-7-12(16)13(11,2)3/h4-6,11-12,15-16H,7,14H2,1-3H3
InChIKeyXOQYEJYIGJDOLF-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.01
Rot. Bonds3

About 4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide

4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide (PubChem CID 114628487) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide
PubChem CID114628487
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide
SMILESCc1cc(N)ccc1S(=O)(=O)NC1CC(O)C1(C)C
InChIInChI=1S/C13H20N2O3S/c1-8-6-9(14)4-5-10(8)19(17,18)15-11-7-12(16)13(11,2)3/h4-6,11-12,15-16H,7,14H2,1-3H3
InChIKeyXOQYEJYIGJDOLF-UHFFFAOYSA-N
XLogP1.01
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.01
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

o-Toluenesulfonamide, 4-amino-N-(2-hydroxyethyl)-
CID 3052695
5-amino-3-fluoro-N-(3-hydroxycyclobutyl)-2-methylbenzenesulfonamide
CID 79904324
5-amino-4-fluoro-N-(3-hydroxycyclobutyl)-2-methylbenzenesulfonamide
CID 80166515
5-amino-2-fluoro-N-(3-hydroxycyclobutyl)-3-methylbenzenesulfonamide
CID 80645713
5-amino-2-fluoro-N-(4-hydroxypentan-2-yl)-3-methylbenzenesulfonamide
CID 104104995
5-amino-3-fluoro-N-(4-hydroxypentan-2-yl)-2-methylbenzenesulfonamide
CID 104105031
3-amino-4-fluoro-N-(4-hydroxypentan-2-yl)-5-methylbenzenesulfonamide
CID 104105033
5-amino-4-fluoro-N-(4-hydroxypentan-2-yl)-2-methylbenzenesulfonamide
CID 104105044
4-amino-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
CID 105641686
4-amino-N-(3,3-difluoro-2-hydroxypropyl)-2,6-dimethylbenzenesulfonamide
CID 105641866
4-amino-2-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 105836606
5-amino-2-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)-3-methylbenzenesulfonamide
CID 105836620

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide?
The IUPAC name of 4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide (CID 114628487) is 4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide is Cc1cc(N)ccc1S(=O)(=O)NC1CC(O)C1(C)C.
What is the InChIKey of 4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide?
The InChIKey is XOQYEJYIGJDOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-8-6-9(14)4-5-10(8)19(17,18)15-11-7-12(16)13(11,2)3/h4-6,11-12,15-16H,7,14H2,1-3H3.
What are the key properties of 4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide?
4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.01, 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-hydroxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 114628487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).