3-amino-4-[[2-(methanesulfonamido)-2-methylpropyl]amino]benzenesulfonamide

C11H20N4O4S2 — CID 63861562

IUPAC3-amino-4-[[2-(methanesulfonamido)-2-methylpropyl]amino]benzenesulfonamide
SMILESCC(C)(CNc1ccc(S(N)(=O)=O)cc1N)NS(C)(=O)=O
InChIInChI=1S/C11H20N4O4S2/c1-11(2,15-20(3,16)17)7-14-10-5-4-8(6-9(10)12)21(13,18)19/h4-6,14-15H,7,12H2,1-3H3,(H2,13,18,19)
InChIKeyOCBOUXFMCDCHNC-UHFFFAOYSA-N
MW336.44 g/mol
LogP-0.34
Rot. Bonds6

About 3-amino-4-[[2-(methanesulfonamido)-2-methylpropyl]amino]benzenesulfonamide

3-amino-4-[[2-(methanesulfonamido)-2-methylpropyl]amino]benzenesulfonamide (PubChem CID 63861562) has the molecular formula C11H20N4O4S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-amino-4-[[2-(methanesulfonamido)-2-methylpropyl]amino]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-[[2-(methanesulfonamido)-2-methylpropyl]amino]benzenesulfonamide
PubChem CID63861562
Molecular FormulaC11H20N4O4S2
Molecular Weight336.44 g/mol
Exact Mass336.09
IUPAC Name3-amino-4-[[2-(methanesulfonamido)-2-methylpropyl]amino]benzenesulfonamide
SMILESCC(C)(CNc1ccc(S(N)(=O)=O)cc1N)NS(C)(=O)=O
InChIInChI=1S/C11H20N4O4S2/c1-11(2,15-20(3,16)17)7-14-10-5-4-8(6-9(10)12)21(13,18)19/h4-6,14-15H,7,12H2,1-3H3,(H2,13,18,19)
InChIKeyOCBOUXFMCDCHNC-UHFFFAOYSA-N
XLogP-0.34
TPSA144.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 5-0.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-[(2-methoxy-2-methylpropyl)amino]benzenesulfonamide
CID 113449899
3-amino-4-[(2-ethyl-2-hydroxybutyl)amino]benzenesulfonamide
CID 65102697
3-amino-4-[(2-hydroxy-2-methylpentyl)amino]benzenesulfonamide
CID 106290169
3-amino-4-(2-methylbutan-2-ylamino)benzenesulfonamide
CID 43153449
3-amino-4-[3-(methanesulfonamido)propylamino]benzenesulfonamide
CID 106333712
N-[1-(5-amino-2-methylanilino)-2-methylpropan-2-yl]methanesulfonamide
CID 55256567
3-amino-4-(2,3-dimethylbutylamino)benzenesulfonamide
CID 64568212
3-amino-4-[(2-hydroxy-4,4-dimethylpentyl)amino]benzenesulfonamide
CID 107150923
3-(2-amino-4-methylsulfonylanilino)-2-methylpropane-1,2-diol
CID 66170096
N-[2-(2-amino-4-sulfamoylanilino)ethyl]acetamide
CID 43552749
3-amino-4-(2-ethoxyethylamino)benzenesulfonamide
CID 43591103
3-amino-4-(4-methylsulfanylbutylamino)benzenesulfonamide
CID 113487240

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[[2-(methanesulfonamido)-2-methylpropyl]amino]benzenesulfonamide?
The IUPAC name of 3-amino-4-[[2-(methanesulfonamido)-2-methylpropyl]amino]benzenesulfonamide (CID 63861562) is 3-amino-4-[[2-(methanesulfonamido)-2-methylpropyl]amino]benzenesulfonamide.
What is the SMILES notation for 3-amino-4-[[2-(methanesulfonamido)-2-methylpropyl]amino]benzenesulfonamide?
The canonical SMILES for 3-amino-4-[[2-(methanesulfonamido)-2-methylpropyl]amino]benzenesulfonamide is CC(C)(CNc1ccc(S(N)(=O)=O)cc1N)NS(C)(=O)=O.
What is the InChIKey of 3-amino-4-[[2-(methanesulfonamido)-2-methylpropyl]amino]benzenesulfonamide?
The InChIKey is OCBOUXFMCDCHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O4S2/c1-11(2,15-20(3,16)17)7-14-10-5-4-8(6-9(10)12)21(13,18)19/h4-6,14-15H,7,12H2,1-3H3,(H2,13,18,19).
What are the key properties of 3-amino-4-[[2-(methanesulfonamido)-2-methylpropyl]amino]benzenesulfonamide?
3-amino-4-[[2-(methanesulfonamido)-2-methylpropyl]amino]benzenesulfonamide has a molecular weight of 336.44 g/mol, XLogP of -0.34, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[[2-(methanesulfonamido)-2-methylpropyl]amino]benzenesulfonamide is sourced from PubChem (CID 63861562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).