5-amino-N-methyl-2-(2,4,4-trimethylpentan-2-ylamino)benzenesulfonamide

C15H27N3O2S — CID 103286934

IUPAC5-amino-N-methyl-2-(2,4,4-trimethylpentan-2-ylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1NC(C)(C)CC(C)(C)C
InChIInChI=1S/C15H27N3O2S/c1-14(2,3)10-15(4,5)18-12-8-7-11(16)9-13(12)21(19,20)17-6/h7-9,17-18H,10,16H2,1-6H3
InChIKeyGYONSYISJBOGIK-UHFFFAOYSA-N
MW313.47 g/mol
LogP2.80
Rot. Bonds5

About 5-amino-N-methyl-2-(2,4,4-trimethylpentan-2-ylamino)benzenesulfonamide

5-amino-N-methyl-2-(2,4,4-trimethylpentan-2-ylamino)benzenesulfonamide (PubChem CID 103286934) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is 5-amino-N-methyl-2-(2,4,4-trimethylpentan-2-ylamino)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-methyl-2-(2,4,4-trimethylpentan-2-ylamino)benzenesulfonamide
PubChem CID103286934
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC Name5-amino-N-methyl-2-(2,4,4-trimethylpentan-2-ylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1NC(C)(C)CC(C)(C)C
InChIInChI=1S/C15H27N3O2S/c1-14(2,3)10-15(4,5)18-12-8-7-11(16)9-13(12)21(19,20)17-6/h7-9,17-18H,10,16H2,1-6H3
InChIKeyGYONSYISJBOGIK-UHFFFAOYSA-N
XLogP2.80
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 52.80
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

5-amino-2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide
CID 103287459
5-amino-2-[(3-hydroxy-2-methylbutan-2-yl)amino]-N-methylbenzenesulfonamide
CID 103287457
5-amino-N-methyl-2-[(2-methyl-2-methylsulfanylpropyl)amino]benzenesulfonamide
CID 103287383
5-amino-2-(2-hydroxypropylamino)-N-methylbenzenesulfonamide
CID 103286731
5-amino-2-(2,6-difluoroanilino)-N-methylbenzenesulfonamide
CID 103286692
5-amino-2-[(2-hydroxy-2-methylpentyl)amino]-N-methylbenzenesulfonamide
CID 106290279
5-amino-2-(cyclobutylamino)-N-methylbenzenesulfonamide
CID 103286994
5-amino-2-[(4-chlorophenyl)methylamino]-N-methylbenzenesulfonamide
CID 103286589
5-amino-N-methyl-2-[(2-methylcyclopropyl)methylamino]benzenesulfonamide
CID 103287354
5-amino-2-[(4-fluorophenyl)methylamino]-N-methylbenzenesulfonamide
CID 103286616
5-amino-N-methyl-2-(2-methylanilino)benzenesulfonamide
CID 103286687
5-amino-2-bromo-N-methylbenzenesulfonamide
CID 65201802

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-2-(2,4,4-trimethylpentan-2-ylamino)benzenesulfonamide?
The IUPAC name of 5-amino-N-methyl-2-(2,4,4-trimethylpentan-2-ylamino)benzenesulfonamide (CID 103286934) is 5-amino-N-methyl-2-(2,4,4-trimethylpentan-2-ylamino)benzenesulfonamide.
What is the SMILES notation for 5-amino-N-methyl-2-(2,4,4-trimethylpentan-2-ylamino)benzenesulfonamide?
The canonical SMILES for 5-amino-N-methyl-2-(2,4,4-trimethylpentan-2-ylamino)benzenesulfonamide is CNS(=O)(=O)c1cc(N)ccc1NC(C)(C)CC(C)(C)C.
What is the InChIKey of 5-amino-N-methyl-2-(2,4,4-trimethylpentan-2-ylamino)benzenesulfonamide?
The InChIKey is GYONSYISJBOGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-14(2,3)10-15(4,5)18-12-8-7-11(16)9-13(12)21(19,20)17-6/h7-9,17-18H,10,16H2,1-6H3.
What are the key properties of 5-amino-N-methyl-2-(2,4,4-trimethylpentan-2-ylamino)benzenesulfonamide?
5-amino-N-methyl-2-(2,4,4-trimethylpentan-2-ylamino)benzenesulfonamide has a molecular weight of 313.47 g/mol, XLogP of 2.80, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-2-(2,4,4-trimethylpentan-2-ylamino)benzenesulfonamide is sourced from PubChem (CID 103286934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).