3-amino-4-(2-methylbutan-2-ylamino)benzenesulfonamide

C11H19N3O2S — CID 43153449

IUPAC3-amino-4-(2-methylbutan-2-ylamino)benzenesulfonamide
SMILESCCC(C)(C)Nc1ccc(S(N)(=O)=O)cc1N
InChIInChI=1S/C11H19N3O2S/c1-4-11(2,3)14-10-6-5-8(7-9(10)12)17(13,15)16/h5-7,14H,4,12H2,1-3H3,(H2,13,15,16)
InChIKeyMJTVSCMCWFTQFY-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.52
Rot. Bonds4

About 3-amino-4-(2-methylbutan-2-ylamino)benzenesulfonamide

3-amino-4-(2-methylbutan-2-ylamino)benzenesulfonamide (PubChem CID 43153449) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 3-amino-4-(2-methylbutan-2-ylamino)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-(2-methylbutan-2-ylamino)benzenesulfonamide
PubChem CID43153449
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name3-amino-4-(2-methylbutan-2-ylamino)benzenesulfonamide
SMILESCCC(C)(C)Nc1ccc(S(N)(=O)=O)cc1N
InChIInChI=1S/C11H19N3O2S/c1-4-11(2,3)14-10-6-5-8(7-9(10)12)17(13,15)16/h5-7,14H,4,12H2,1-3H3,(H2,13,15,16)
InChIKeyMJTVSCMCWFTQFY-UHFFFAOYSA-N
XLogP1.52
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.52
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

3-amino-4-[(2-ethyl-2-hydroxybutyl)amino]benzenesulfonamide
CID 65102697
4-amino-3-(3-methylpentan-3-ylamino)benzenesulfonamide
CID 114174106
3-amino-4-(2-ethoxyethylamino)benzenesulfonamide
CID 43591103
3-amino-4-[[2-(methanesulfonamido)-2-methylpropyl]amino]benzenesulfonamide
CID 63861562
3-amino-4-(propan-2-ylamino)benzenesulfonamide
CID 43153415
3-amino-4-[(2-methoxy-2-methylpropyl)amino]benzenesulfonamide
CID 113449899
3-amino-4-[(2-hydroxy-2-methylpentyl)amino]benzenesulfonamide
CID 106290169
3-amino-4-[3-(methanesulfonamido)propylamino]benzenesulfonamide
CID 106333712
N-[2-(2-amino-4-sulfamoylanilino)ethyl]acetamide
CID 43552749
3-amino-4-(2,3-dimethylbutylamino)benzenesulfonamide
CID 64568212
3-amino-4-[(1-ethylcyclobutyl)amino]benzenesulfonamide
CID 113488592
3-amino-4-(4-methylsulfanylbutylamino)benzenesulfonamide
CID 113487240

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2-methylbutan-2-ylamino)benzenesulfonamide?
The IUPAC name of 3-amino-4-(2-methylbutan-2-ylamino)benzenesulfonamide (CID 43153449) is 3-amino-4-(2-methylbutan-2-ylamino)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-(2-methylbutan-2-ylamino)benzenesulfonamide?
The canonical SMILES for 3-amino-4-(2-methylbutan-2-ylamino)benzenesulfonamide is CCC(C)(C)Nc1ccc(S(N)(=O)=O)cc1N.
What is the InChIKey of 3-amino-4-(2-methylbutan-2-ylamino)benzenesulfonamide?
The InChIKey is MJTVSCMCWFTQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-4-11(2,3)14-10-6-5-8(7-9(10)12)17(13,15)16/h5-7,14H,4,12H2,1-3H3,(H2,13,15,16).
What are the key properties of 3-amino-4-(2-methylbutan-2-ylamino)benzenesulfonamide?
3-amino-4-(2-methylbutan-2-ylamino)benzenesulfonamide has a molecular weight of 257.36 g/mol, XLogP of 1.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2-methylbutan-2-ylamino)benzenesulfonamide is sourced from PubChem (CID 43153449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).