4-amino-3-[cyclopropyl(furan-2-ylmethyl)amino]benzenesulfonamide

C14H17N3O3S — CID 82900371

IUPAC4-amino-3-[cyclopropyl(furan-2-ylmethyl)amino]benzenesulfonamide
SMILESNc1ccc(S(N)(=O)=O)cc1N(Cc1ccco1)C1CC1
InChIInChI=1S/C14H17N3O3S/c15-13-6-5-12(21(16,18)19)8-14(13)17(10-3-4-10)9-11-2-1-7-20-11/h1-2,5-8,10H,3-4,9,15H2,(H2,16,18,19)
InChIKeyUFOULFHEWLTARA-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.68
Rot. Bonds5

About 4-amino-3-[cyclopropyl(furan-2-ylmethyl)amino]benzenesulfonamide

4-amino-3-[cyclopropyl(furan-2-ylmethyl)amino]benzenesulfonamide (PubChem CID 82900371) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 4-amino-3-[cyclopropyl(furan-2-ylmethyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-[cyclopropyl(furan-2-ylmethyl)amino]benzenesulfonamide
PubChem CID82900371
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name4-amino-3-[cyclopropyl(furan-2-ylmethyl)amino]benzenesulfonamide
SMILESNc1ccc(S(N)(=O)=O)cc1N(Cc1ccco1)C1CC1
InChIInChI=1S/C14H17N3O3S/c15-13-6-5-12(21(16,18)19)8-14(13)17(10-3-4-10)9-11-2-1-7-20-11/h1-2,5-8,10H,3-4,9,15H2,(H2,16,18,19)
InChIKeyUFOULFHEWLTARA-UHFFFAOYSA-N
XLogP1.68
TPSA102.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[cyclopropyl(furan-2-ylmethyl)amino]benzenesulfonamide?
The IUPAC name of 4-amino-3-[cyclopropyl(furan-2-ylmethyl)amino]benzenesulfonamide (CID 82900371) is 4-amino-3-[cyclopropyl(furan-2-ylmethyl)amino]benzenesulfonamide.
What is the SMILES notation for 4-amino-3-[cyclopropyl(furan-2-ylmethyl)amino]benzenesulfonamide?
The canonical SMILES for 4-amino-3-[cyclopropyl(furan-2-ylmethyl)amino]benzenesulfonamide is Nc1ccc(S(N)(=O)=O)cc1N(Cc1ccco1)C1CC1.
What is the InChIKey of 4-amino-3-[cyclopropyl(furan-2-ylmethyl)amino]benzenesulfonamide?
The InChIKey is UFOULFHEWLTARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c15-13-6-5-12(21(16,18)19)8-14(13)17(10-3-4-10)9-11-2-1-7-20-11/h1-2,5-8,10H,3-4,9,15H2,(H2,16,18,19).
What are the key properties of 4-amino-3-[cyclopropyl(furan-2-ylmethyl)amino]benzenesulfonamide?
4-amino-3-[cyclopropyl(furan-2-ylmethyl)amino]benzenesulfonamide has a molecular weight of 307.38 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[cyclopropyl(furan-2-ylmethyl)amino]benzenesulfonamide is sourced from PubChem (CID 82900371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).