2-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide

C16H18BrNO3S — CID 47015119

IUPAC2-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide
SMILESCC1CC1c1ccc(CN(C)S(=O)(=O)c2ccccc2Br)o1
InChIInChI=1S/C16H18BrNO3S/c1-11-9-13(11)15-8-7-12(21-15)10-18(2)22(19,20)16-6-4-3-5-14(16)17/h3-8,11,13H,9-10H2,1-2H3
InChIKeyUZCLKNHHQAVPMB-UHFFFAOYSA-N
MW384.30 g/mol
LogP3.99
Rot. Bonds5

About 2-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide

2-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide (PubChem CID 47015119) has the molecular formula C16H18BrNO3S and a molecular weight of 384.30 g/mol. Its IUPAC name is 2-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide
PubChem CID47015119
Molecular FormulaC16H18BrNO3S
Molecular Weight384.30 g/mol
Exact Mass383.02
IUPAC Name2-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide
SMILESCC1CC1c1ccc(CN(C)S(=O)(=O)c2ccccc2Br)o1
InChIInChI=1S/C16H18BrNO3S/c1-11-9-13(11)15-8-7-12(21-15)10-18(2)22(19,20)16-6-4-3-5-14(16)17/h3-8,11,13H,9-10H2,1-2H3
InChIKeyUZCLKNHHQAVPMB-UHFFFAOYSA-N
XLogP3.99
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.30
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]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

2-bromo-N-methyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]benzenesulfonamide
CID 30142898
2,5-difluoro-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide
CID 47015124
2-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide
CID 60697652
N-methyl-N-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 30142906
N,2-dimethyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-6-nitrobenzenesulfonamide
CID 98691157
N-[(2-aminophenyl)methyl]-2-bromo-N-methylbenzenesulfonamide
CID 43458478
2-[methyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]sulfamoyl]propanoic acid
CID 61455218
N-cyclopropyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide
CID 42960439
N-methyl-N-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 31109169
N-cyclopropyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 55682151
2-bromo-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 47387654
(3R)-N,3-dimethyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]piperidine-1-sulfonamide
CID 51936643

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide (CID 47015119) is 2-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide is CC1CC1c1ccc(CN(C)S(=O)(=O)c2ccccc2Br)o1.
What is the InChIKey of 2-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide?
The InChIKey is UZCLKNHHQAVPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO3S/c1-11-9-13(11)15-8-7-12(21-15)10-18(2)22(19,20)16-6-4-3-5-14(16)17/h3-8,11,13H,9-10H2,1-2H3.
What are the key properties of 2-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide?
2-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide has a molecular weight of 384.30 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 47015119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).