4-amino-2-cyano-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide

C13H17N3O3S — CID 114628427

IUPAC4-amino-2-cyano-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
SMILESCC1(C)C(O)CC1NS(=O)(=O)c1ccc(N)cc1C#N
InChIInChI=1S/C13H17N3O3S/c1-13(2)11(6-12(13)17)16-20(18,19)10-4-3-9(15)5-8(10)7-14/h3-5,11-12,16-17H,6,15H2,1-2H3
InChIKeyYTCZYMWIZDDDPC-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.58
Rot. Bonds3

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

4-amino-2-cyano-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide (PubChem CID 114628427) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 4-amino-2-cyano-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-cyano-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
PubChem CID114628427
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name4-amino-2-cyano-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
SMILESCC1(C)C(O)CC1NS(=O)(=O)c1ccc(N)cc1C#N
InChIInChI=1S/C13H17N3O3S/c1-13(2)11(6-12(13)17)16-20(18,19)10-4-3-9(15)5-8(10)7-14/h3-5,11-12,16-17H,6,15H2,1-2H3
InChIKeyYTCZYMWIZDDDPC-UHFFFAOYSA-N
XLogP0.58
TPSA116.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide
CID 114628487
5-amino-2-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 114628382
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methyl-4-nitrobenzenesulfonamide
CID 114631548
4-amino-2-cyano-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 63822731
4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,6-dimethylbenzenesulfonamide
CID 114628526
4-amino-2,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 114628394
3-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]-4-methylbenzoic acid
CID 114628921
4-bromo-2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 114631524
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide
CID 114631542
4-amino-2-cyano-N-ethylbenzenesulfonamide
CID 43255698
4-amino-2-cyano-N-pentan-3-ylbenzenesulfonamide
CID 43255682
2-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 114631512

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-cyano-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide?
The IUPAC name of 4-amino-2-cyano-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide (CID 114628427) is 4-amino-2-cyano-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-cyano-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-cyano-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide is CC1(C)C(O)CC1NS(=O)(=O)c1ccc(N)cc1C#N.
What is the InChIKey of 4-amino-2-cyano-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide?
The InChIKey is YTCZYMWIZDDDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-13(2)11(6-12(13)17)16-20(18,19)10-4-3-9(15)5-8(10)7-14/h3-5,11-12,16-17H,6,15H2,1-2H3.
What are the key properties of 4-amino-2-cyano-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide?
4-amino-2-cyano-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide has a molecular weight of 295.36 g/mol, XLogP of 0.58, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-cyano-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide is sourced from PubChem (CID 114628427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).