2-amino-4-(4-aminophenyl)benzenesulfonamide;methane

C13H17N3O2S — CID 70397114

IUPAC2-amino-4-(4-aminophenyl)benzenesulfonamide;methane
SMILESC.Nc1ccc(-c2ccc(S(N)(=O)=O)c(N)c2)cc1
InChIInChI=1S/C12H13N3O2S.CH4/c13-10-4-1-8(2-5-10)9-3-6-12(11(14)7-9)18(15,16)17;/h1-7H,13-14H2,(H2,15,16,17);1H4
InChIKeyBDWNIGRJZZJEMA-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.80
Rot. Bonds2

About 2-amino-4-(4-aminophenyl)benzenesulfonamide;methane

2-amino-4-(4-aminophenyl)benzenesulfonamide;methane (PubChem CID 70397114) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 2-amino-4-(4-aminophenyl)benzenesulfonamide;methane.

Molecular Properties

Compound Name2-amino-4-(4-aminophenyl)benzenesulfonamide;methane
PubChem CID70397114
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name2-amino-4-(4-aminophenyl)benzenesulfonamide;methane
SMILESC.Nc1ccc(-c2ccc(S(N)(=O)=O)c(N)c2)cc1
InChIInChI=1S/C12H13N3O2S.CH4/c13-10-4-1-8(2-5-10)9-3-6-12(11(14)7-9)18(15,16)17;/h1-7H,13-14H2,(H2,15,16,17);1H4
InChIKeyBDWNIGRJZZJEMA-UHFFFAOYSA-N
XLogP1.80
TPSA112.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-aminophenyl)benzenesulfonamide;methane?
The IUPAC name of 2-amino-4-(4-aminophenyl)benzenesulfonamide;methane (CID 70397114) is 2-amino-4-(4-aminophenyl)benzenesulfonamide;methane.
What is the SMILES notation for 2-amino-4-(4-aminophenyl)benzenesulfonamide;methane?
The canonical SMILES for 2-amino-4-(4-aminophenyl)benzenesulfonamide;methane is C.Nc1ccc(-c2ccc(S(N)(=O)=O)c(N)c2)cc1.
What is the InChIKey of 2-amino-4-(4-aminophenyl)benzenesulfonamide;methane?
The InChIKey is BDWNIGRJZZJEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S.CH4/c13-10-4-1-8(2-5-10)9-3-6-12(11(14)7-9)18(15,16)17;/h1-7H,13-14H2,(H2,15,16,17);1H4.
What are the key properties of 2-amino-4-(4-aminophenyl)benzenesulfonamide;methane?
2-amino-4-(4-aminophenyl)benzenesulfonamide;methane has a molecular weight of 279.37 g/mol, XLogP of 1.80, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-aminophenyl)benzenesulfonamide;methane is sourced from PubChem (CID 70397114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).