4-amino-N-ethyl-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]benzenesulfonamide

C14H23N3O3S — CID 114628698

IUPAC4-amino-N-ethyl-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(N)c(NC2CC(O)C2(C)C)c1
InChIInChI=1S/C14H23N3O3S/c1-4-16-21(19,20)9-5-6-10(15)11(7-9)17-12-8-13(18)14(12,2)3/h5-7,12-13,16-18H,4,8,15H2,1-3H3
InChIKeyYLCWRBVCWUWULA-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.14
Rot. Bonds5

About 4-amino-N-ethyl-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]benzenesulfonamide

4-amino-N-ethyl-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]benzenesulfonamide (PubChem CID 114628698) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 4-amino-N-ethyl-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-ethyl-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]benzenesulfonamide
PubChem CID114628698
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name4-amino-N-ethyl-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(N)c(NC2CC(O)C2(C)C)c1
InChIInChI=1S/C14H23N3O3S/c1-4-16-21(19,20)9-5-6-10(15)11(7-9)17-12-8-13(18)14(12,2)3/h5-7,12-13,16-18H,4,8,15H2,1-3H3
InChIKeyYLCWRBVCWUWULA-UHFFFAOYSA-N
XLogP1.14
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-Amino-N,N-diethyl-4-[(2-hydroxyethyl)amino]benzene-1-sulfonamide
CID 3733261
4-[(2-Amino-3-hydroxybutyl)amino]-3-fluorobenzenesulfonamide
CID 64541720
3-Fluoro-4-[(3-hydroxycyclobutyl)amino]benzenesulfonamide
CID 65970733
3-Fluoro-4-(4-hydroxypentan-2-ylamino)benzenesulfonamide
CID 104107336
3-amino-N-methyl-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]benzenesulfonamide
CID 105642004
4-Amino-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]benzenesulfonamide
CID 105642031
4-amino-N,N-dimethyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]benzenesulfonamide
CID 105642033
3-amino-N,N-dimethyl-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]benzenesulfonamide
CID 105642091
3-Amino-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]benzenesulfonamide
CID 105642134
4-amino-N-ethyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]benzenesulfonamide
CID 105642176
4-amino-N-methyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]benzenesulfonamide
CID 105642226
3-amino-4-[(3,3-difluoro-2-hydroxypropyl)amino]-N-methylbenzenesulfonamide
CID 105642363

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]benzenesulfonamide?
The IUPAC name of 4-amino-N-ethyl-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]benzenesulfonamide (CID 114628698) is 4-amino-N-ethyl-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-ethyl-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]benzenesulfonamide?
The canonical SMILES for 4-amino-N-ethyl-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]benzenesulfonamide is CCNS(=O)(=O)c1ccc(N)c(NC2CC(O)C2(C)C)c1.
What is the InChIKey of 4-amino-N-ethyl-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]benzenesulfonamide?
The InChIKey is YLCWRBVCWUWULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-4-16-21(19,20)9-5-6-10(15)11(7-9)17-12-8-13(18)14(12,2)3/h5-7,12-13,16-18H,4,8,15H2,1-3H3.
What are the key properties of 4-amino-N-ethyl-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]benzenesulfonamide?
4-amino-N-ethyl-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]benzenesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 1.14, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]benzenesulfonamide is sourced from PubChem (CID 114628698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).