2-amino-3-(tert-butylamino)benzenesulfonamide

C10H17N3O2S — CID 112674632

IUPAC2-amino-3-(tert-butylamino)benzenesulfonamide
SMILESCC(C)(C)Nc1cccc(S(N)(=O)=O)c1N
InChIInChI=1S/C10H17N3O2S/c1-10(2,3)13-7-5-4-6-8(9(7)11)16(12,14)15/h4-6,13H,11H2,1-3H3,(H2,12,14,15)
InChIKeyUYBRNVATVHWFMP-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.13
Rot. Bonds2

About 2-amino-3-(tert-butylamino)benzenesulfonamide

2-amino-3-(tert-butylamino)benzenesulfonamide (PubChem CID 112674632) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-amino-3-(tert-butylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-(tert-butylamino)benzenesulfonamide
PubChem CID112674632
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name2-amino-3-(tert-butylamino)benzenesulfonamide
SMILESCC(C)(C)Nc1cccc(S(N)(=O)=O)c1N
InChIInChI=1S/C10H17N3O2S/c1-10(2,3)13-7-5-4-6-8(9(7)11)16(12,14)15/h4-6,13H,11H2,1-3H3,(H2,12,14,15)
InChIKeyUYBRNVATVHWFMP-UHFFFAOYSA-N
XLogP1.13
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.13
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

2-(2-amino-3-sulfamoylanilino)-2-methylpropanamide
CID 112674844
2-amino-3-(tert-butylamino)-N,N-dimethylbenzenesulfonamide
CID 107115613
2-amino-3-(2,3-dimethylanilino)benzenesulfonamide
CID 115992330
2-amino-3-(2,6-dichloroanilino)benzenesulfonamide
CID 115992809
2-amino-3-[[2-(dimethylamino)-2-methylpropyl]amino]benzenesulfonamide
CID 112674811
2-amino-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]benzenesulfonamide
CID 115992256
2-amino-3-[(3-methyl-2-propan-2-ylbutyl)amino]benzenesulfonamide
CID 102903616
2-amino-3-(2-methylsulfanylethylamino)benzenesulfonamide
CID 112674920
2-amino-3-(2,3-dimethylbutylamino)benzenesulfonamide
CID 112674946
1-N-tert-butyl-3-chlorobenzene-1,2-diamine
CID 68721117
2-(2-amino-3-sulfamoylanilino)-N-methylacetamide
CID 112674675
2-amino-3-[(2-ethylphenyl)methylamino]benzenesulfonamide
CID 115992788

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(tert-butylamino)benzenesulfonamide?
The IUPAC name of 2-amino-3-(tert-butylamino)benzenesulfonamide (CID 112674632) is 2-amino-3-(tert-butylamino)benzenesulfonamide.
What is the SMILES notation for 2-amino-3-(tert-butylamino)benzenesulfonamide?
The canonical SMILES for 2-amino-3-(tert-butylamino)benzenesulfonamide is CC(C)(C)Nc1cccc(S(N)(=O)=O)c1N.
What is the InChIKey of 2-amino-3-(tert-butylamino)benzenesulfonamide?
The InChIKey is UYBRNVATVHWFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-10(2,3)13-7-5-4-6-8(9(7)11)16(12,14)15/h4-6,13H,11H2,1-3H3,(H2,12,14,15).
What are the key properties of 2-amino-3-(tert-butylamino)benzenesulfonamide?
2-amino-3-(tert-butylamino)benzenesulfonamide has a molecular weight of 243.33 g/mol, XLogP of 1.13, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(tert-butylamino)benzenesulfonamide is sourced from PubChem (CID 112674632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).