5-amino-N-methyl-2-[methyl(pentan-2-yl)amino]benzenesulfonamide

C13H23N3O2S — CID 103286765

IUPAC5-amino-N-methyl-2-[methyl(pentan-2-yl)amino]benzenesulfonamide
SMILESCCCC(C)N(C)c1ccc(N)cc1S(=O)(=O)NC
InChIInChI=1S/C13H23N3O2S/c1-5-6-10(2)16(4)12-8-7-11(14)9-13(12)19(17,18)15-3/h7-10,15H,5-6,14H2,1-4H3
InChIKeyRRRCLLXUDYTHNY-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.80
Rot. Bonds6

About 5-amino-N-methyl-2-[methyl(pentan-2-yl)amino]benzenesulfonamide

5-amino-N-methyl-2-[methyl(pentan-2-yl)amino]benzenesulfonamide (PubChem CID 103286765) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 5-amino-N-methyl-2-[methyl(pentan-2-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-methyl-2-[methyl(pentan-2-yl)amino]benzenesulfonamide
PubChem CID103286765
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name5-amino-N-methyl-2-[methyl(pentan-2-yl)amino]benzenesulfonamide
SMILESCCCC(C)N(C)c1ccc(N)cc1S(=O)(=O)NC
InChIInChI=1S/C13H23N3O2S/c1-5-6-10(2)16(4)12-8-7-11(14)9-13(12)19(17,18)15-3/h7-10,15H,5-6,14H2,1-4H3
InChIKeyRRRCLLXUDYTHNY-UHFFFAOYSA-N
XLogP1.80
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-[ethyl(2-methylbutyl)amino]-N-methylbenzenesulfonamide
CID 103287184
5-amino-2-[butyl(ethyl)amino]-N-methylbenzenesulfonamide
CID 103286581
5-amino-2-[2-hydroxyethyl(methyl)amino]-N-methylbenzenesulfonamide
CID 103286700
5-amino-2-[cycloheptyl(methyl)amino]-N-methylbenzenesulfonamide
CID 103286784
5-amino-2-[2-cyanoethyl(methyl)amino]-N-methylbenzenesulfonamide
CID 103286583
5-amino-2-[cyclopentylmethyl(methyl)amino]-N-methylbenzenesulfonamide
CID 103287062
5-amino-2-bromo-N-methyl-N-pentan-2-ylbenzenesulfonamide
CID 65206521
5-amino-2-butan-2-yloxy-N-methylbenzenesulfonamide
CID 103287793
5-amino-2-(1-methoxypentan-2-ylamino)-N-methylbenzenesulfonamide
CID 103287104
5-amino-2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-methylbenzenesulfonamide
CID 103287528
5-amino-N-methyl-2-[methyl(pyridin-2-ylmethyl)amino]benzenesulfonamide
CID 103286757
5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]-N-methylbenzenesulfonamide
CID 103286902

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-2-[methyl(pentan-2-yl)amino]benzenesulfonamide?
The IUPAC name of 5-amino-N-methyl-2-[methyl(pentan-2-yl)amino]benzenesulfonamide (CID 103286765) is 5-amino-N-methyl-2-[methyl(pentan-2-yl)amino]benzenesulfonamide.
What is the SMILES notation for 5-amino-N-methyl-2-[methyl(pentan-2-yl)amino]benzenesulfonamide?
The canonical SMILES for 5-amino-N-methyl-2-[methyl(pentan-2-yl)amino]benzenesulfonamide is CCCC(C)N(C)c1ccc(N)cc1S(=O)(=O)NC.
What is the InChIKey of 5-amino-N-methyl-2-[methyl(pentan-2-yl)amino]benzenesulfonamide?
The InChIKey is RRRCLLXUDYTHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-5-6-10(2)16(4)12-8-7-11(14)9-13(12)19(17,18)15-3/h7-10,15H,5-6,14H2,1-4H3.
What are the key properties of 5-amino-N-methyl-2-[methyl(pentan-2-yl)amino]benzenesulfonamide?
5-amino-N-methyl-2-[methyl(pentan-2-yl)amino]benzenesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-2-[methyl(pentan-2-yl)amino]benzenesulfonamide is sourced from PubChem (CID 103286765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).