5-amino-2-methyl-3-[methyl(2-methylbutyl)amino]benzenesulfonamide

C13H23N3O2S — CID 79896823

IUPAC5-amino-2-methyl-3-[methyl(2-methylbutyl)amino]benzenesulfonamide
SMILESCCC(C)CN(C)c1cc(N)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C13H23N3O2S/c1-5-9(2)8-16(4)12-6-11(14)7-13(10(12)3)19(15,17)18/h6-7,9H,5,8,14H2,1-4H3,(H2,15,17,18)
InChIKeyHPPMLEXEWWXDAL-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.71
Rot. Bonds5

About 5-amino-2-methyl-3-[methyl(2-methylbutyl)amino]benzenesulfonamide

5-amino-2-methyl-3-[methyl(2-methylbutyl)amino]benzenesulfonamide (PubChem CID 79896823) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 5-amino-2-methyl-3-[methyl(2-methylbutyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-methyl-3-[methyl(2-methylbutyl)amino]benzenesulfonamide
PubChem CID79896823
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name5-amino-2-methyl-3-[methyl(2-methylbutyl)amino]benzenesulfonamide
SMILESCCC(C)CN(C)c1cc(N)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C13H23N3O2S/c1-5-9(2)8-16(4)12-6-11(14)7-13(10(12)3)19(15,17)18/h6-7,9H,5,8,14H2,1-4H3,(H2,15,17,18)
InChIKeyHPPMLEXEWWXDAL-UHFFFAOYSA-N
XLogP1.71
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.71
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-3-[2-(dimethylamino)ethyl-methylamino]-2-methylbenzenesulfonamide
CID 79896226
5-amino-2-methyl-3-[methyl(2-methylsulfonylethyl)amino]benzenesulfonamide
CID 79905154
5-amino-3-[ethyl(2-methylpropyl)amino]-2-methylbenzenesulfonamide
CID 79896553
5-amino-3-[2-cyanoethyl(methyl)amino]-2-methylbenzenesulfonamide
CID 79897338
5-amino-3-[3-methoxypropyl(methyl)amino]-2-methylbenzenesulfonamide
CID 79895968
5-amino-3-[(4-bromothiophen-2-yl)methyl-methylamino]-2-methylbenzenesulfonamide
CID 79900394
5-amino-2-methyl-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzenesulfonamide
CID 79899789
1-N-methyl-1-N-(2-methylbutyl)-4-methylsulfonylbenzene-1,2-diamine
CID 43382637
2-[methyl(2-methylbutyl)amino]-5-sulfamoylbenzoic acid
CID 43296175
5-amino-3-[bis(cyclopropylmethyl)amino]-2-methylbenzenesulfonamide
CID 79901551
5-amino-3-(3-ethylpentan-2-ylamino)-2-methylbenzenesulfonamide
CID 79897192
5-amino-3-[bis(2-methoxyethyl)amino]-2-methylbenzenesulfonamide
CID 79899801

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-3-[methyl(2-methylbutyl)amino]benzenesulfonamide?
The IUPAC name of 5-amino-2-methyl-3-[methyl(2-methylbutyl)amino]benzenesulfonamide (CID 79896823) is 5-amino-2-methyl-3-[methyl(2-methylbutyl)amino]benzenesulfonamide.
What is the SMILES notation for 5-amino-2-methyl-3-[methyl(2-methylbutyl)amino]benzenesulfonamide?
The canonical SMILES for 5-amino-2-methyl-3-[methyl(2-methylbutyl)amino]benzenesulfonamide is CCC(C)CN(C)c1cc(N)cc(S(N)(=O)=O)c1C.
What is the InChIKey of 5-amino-2-methyl-3-[methyl(2-methylbutyl)amino]benzenesulfonamide?
The InChIKey is HPPMLEXEWWXDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-5-9(2)8-16(4)12-6-11(14)7-13(10(12)3)19(15,17)18/h6-7,9H,5,8,14H2,1-4H3,(H2,15,17,18).
What are the key properties of 5-amino-2-methyl-3-[methyl(2-methylbutyl)amino]benzenesulfonamide?
5-amino-2-methyl-3-[methyl(2-methylbutyl)amino]benzenesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-3-[methyl(2-methylbutyl)amino]benzenesulfonamide is sourced from PubChem (CID 79896823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).