2-amino-3-[(2-phenylcyclopropyl)amino]benzenesulfonamide

C15H17N3O2S — CID 115992576

IUPAC2-amino-3-[(2-phenylcyclopropyl)amino]benzenesulfonamide
SMILESNc1c(NC2CC2c2ccccc2)cccc1S(N)(=O)=O
InChIInChI=1S/C15H17N3O2S/c16-15-12(7-4-8-14(15)21(17,19)20)18-13-9-11(13)10-5-2-1-3-6-10/h1-8,11,13,18H,9,16H2,(H2,17,19,20)
InChIKeyWZIAVQPOAAWYAY-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.88
Rot. Bonds4

About 2-amino-3-[(2-phenylcyclopropyl)amino]benzenesulfonamide

2-amino-3-[(2-phenylcyclopropyl)amino]benzenesulfonamide (PubChem CID 115992576) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-amino-3-[(2-phenylcyclopropyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-[(2-phenylcyclopropyl)amino]benzenesulfonamide
PubChem CID115992576
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name2-amino-3-[(2-phenylcyclopropyl)amino]benzenesulfonamide
SMILESNc1c(NC2CC2c2ccccc2)cccc1S(N)(=O)=O
InChIInChI=1S/C15H17N3O2S/c16-15-12(7-4-8-14(15)21(17,19)20)18-13-9-11(13)10-5-2-1-3-6-10/h1-8,11,13,18H,9,16H2,(H2,17,19,20)
InChIKeyWZIAVQPOAAWYAY-UHFFFAOYSA-N
XLogP1.88
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.88
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-3-[(2-phenylcyclopropyl)amino]benzenesulfonamide?
The IUPAC name of 2-amino-3-[(2-phenylcyclopropyl)amino]benzenesulfonamide (CID 115992576) is 2-amino-3-[(2-phenylcyclopropyl)amino]benzenesulfonamide.
What is the SMILES notation for 2-amino-3-[(2-phenylcyclopropyl)amino]benzenesulfonamide?
The canonical SMILES for 2-amino-3-[(2-phenylcyclopropyl)amino]benzenesulfonamide is Nc1c(NC2CC2c2ccccc2)cccc1S(N)(=O)=O.
What is the InChIKey of 2-amino-3-[(2-phenylcyclopropyl)amino]benzenesulfonamide?
The InChIKey is WZIAVQPOAAWYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c16-15-12(7-4-8-14(15)21(17,19)20)18-13-9-11(13)10-5-2-1-3-6-10/h1-8,11,13,18H,9,16H2,(H2,17,19,20).
What are the key properties of 2-amino-3-[(2-phenylcyclopropyl)amino]benzenesulfonamide?
2-amino-3-[(2-phenylcyclopropyl)amino]benzenesulfonamide has a molecular weight of 303.39 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(2-phenylcyclopropyl)amino]benzenesulfonamide is sourced from PubChem (CID 115992576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).