3-amino-4-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)benzenesulfonamide

C14H15BrN2O3S — CID 115328878

IUPAC3-amino-4-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)N(Cc2ccco2)C2CC2)ccc1Br
InChIInChI=1S/C14H15BrN2O3S/c15-13-6-5-12(8-14(13)16)21(18,19)17(10-3-4-10)9-11-2-1-7-20-11/h1-2,5-8,10H,3-4,9,16H2
InChIKeyNCCBSXFWFPZEGL-UHFFFAOYSA-N
MW371.26 g/mol
LogP2.98
Rot. Bonds5

About 3-amino-4-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)benzenesulfonamide

3-amino-4-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)benzenesulfonamide (PubChem CID 115328878) has the molecular formula C14H15BrN2O3S and a molecular weight of 371.26 g/mol. Its IUPAC name is 3-amino-4-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)benzenesulfonamide
PubChem CID115328878
Molecular FormulaC14H15BrN2O3S
Molecular Weight371.26 g/mol
Exact Mass370.00
IUPAC Name3-amino-4-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)N(Cc2ccco2)C2CC2)ccc1Br
InChIInChI=1S/C14H15BrN2O3S/c15-13-6-5-12(8-14(13)16)21(18,19)17(10-3-4-10)9-11-2-1-7-20-11/h1-2,5-8,10H,3-4,9,16H2
InChIKeyNCCBSXFWFPZEGL-UHFFFAOYSA-N
XLogP2.98
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-4-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopentyl-3,4-difluoro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 87032912
2-amino-5-chloro-N-cyclopropyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 61112354
5,6-dichloro-N-cyclopropyl-N-(furan-2-ylmethyl)pyridine-3-sulfonamide
CID 64608208
2-amino-N-cyclopropyl-N-(furan-2-ylmethyl)pyridine-3-sulfonamide
CID 65428570
4-amino-3-[cyclopropyl(furan-2-ylmethyl)amino]benzenesulfonamide
CID 82900371
1-(4-aminophenyl)-N-cyclopropyl-N-(furan-2-ylmethyl)methanesulfonamide
CID 61111599
N-cyclopentyl-N-(furan-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 47268204
methyl 3-[4-[cyclopropyl(furan-2-ylmethyl)sulfamoyl]phenoxy]propanoate
CID 47064760
3-amino-4-ethyl-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 43526678
N-cyclopropyl-N-(furan-2-ylmethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60729636
N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 40988381
3-amino-4-bromo-N-(4,4-dimethylcyclohexyl)-N-methylbenzenesulfonamide
CID 115329664

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-amino-4-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)benzenesulfonamide (CID 115328878) is 3-amino-4-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)benzenesulfonamide is Nc1cc(S(=O)(=O)N(Cc2ccco2)C2CC2)ccc1Br.
What is the InChIKey of 3-amino-4-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)benzenesulfonamide?
The InChIKey is NCCBSXFWFPZEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3S/c15-13-6-5-12(8-14(13)16)21(18,19)17(10-3-4-10)9-11-2-1-7-20-11/h1-2,5-8,10H,3-4,9,16H2.
What are the key properties of 3-amino-4-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)benzenesulfonamide?
3-amino-4-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)benzenesulfonamide has a molecular weight of 371.26 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 115328878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).