3-amino-N-cyclopropylbenzenesulfonamide

C9H12N2O2S — CID 5303061

IUPAC3-amino-N-cyclopropylbenzenesulfonamide
SMILESNc1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C9H12N2O2S/c10-7-2-1-3-9(6-7)14(12,13)11-8-4-5-8/h1-3,6,8,11H,4-5,10H2
InChIKeyMEFGSBDEWJXTLO-UHFFFAOYSA-N
MW212.27 g/mol
LogP0.71
Rot. Bonds3

About 3-amino-N-cyclopropylbenzenesulfonamide

3-amino-N-cyclopropylbenzenesulfonamide (PubChem CID 5303061) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 3-amino-N-cyclopropylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-cyclopropylbenzenesulfonamide
PubChem CID5303061
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name3-amino-N-cyclopropylbenzenesulfonamide
SMILESNc1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C9H12N2O2S/c10-7-2-1-3-9(6-7)14(12,13)11-8-4-5-8/h1-3,6,8,11H,4-5,10H2
InChIKeyMEFGSBDEWJXTLO-UHFFFAOYSA-N
XLogP0.71
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropylbenzenesulfonamide?
The IUPAC name of 3-amino-N-cyclopropylbenzenesulfonamide (CID 5303061) is 3-amino-N-cyclopropylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-cyclopropylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-cyclopropylbenzenesulfonamide is Nc1cccc(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of 3-amino-N-cyclopropylbenzenesulfonamide?
The InChIKey is MEFGSBDEWJXTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c10-7-2-1-3-9(6-7)14(12,13)11-8-4-5-8/h1-3,6,8,11H,4-5,10H2.
What are the key properties of 3-amino-N-cyclopropylbenzenesulfonamide?
3-amino-N-cyclopropylbenzenesulfonamide has a molecular weight of 212.27 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropylbenzenesulfonamide is sourced from PubChem (CID 5303061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).