2-bromo-N-methyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]benzenesulfonamide

C16H18BrNO3S — CID 30142898

IUPAC2-bromo-N-methyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]benzenesulfonamide
SMILESC[C@@H]1C[C@H]1c1ccc(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/t11-,13-/m1/s1
InChIKeyUZCLKNHHQAVPMB-DGCLKSJQSA-N
MW384.30 g/mol
LogP3.99
Rot. Bonds5

About 2-bromo-N-methyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]benzenesulfonamide

2-bromo-N-methyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]benzenesulfonamide (PubChem CID 30142898) has the molecular formula C16H18BrNO3S and a molecular weight of 384.30 g/mol. Its IUPAC name is 2-bromo-N-methyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-methyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]benzenesulfonamide
PubChem CID30142898
Molecular FormulaC16H18BrNO3S
Molecular Weight384.30 g/mol
Exact Mass383.02
IUPAC Name2-bromo-N-methyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]benzenesulfonamide
SMILESC[C@@H]1C[C@H]1c1ccc(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/t11-,13-/m1/s1
InChIKeyUZCLKNHHQAVPMB-DGCLKSJQSA-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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-methyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]benzenesulfonamide (CID 30142898) is 2-bromo-N-methyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-methyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-methyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]benzenesulfonamide is C[C@@H]1C[C@H]1c1ccc(CN(C)S(=O)(=O)c2ccccc2Br)o1.
What is the InChIKey of 2-bromo-N-methyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]benzenesulfonamide?
The InChIKey is UZCLKNHHQAVPMB-DGCLKSJQSA-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/t11-,13-/m1/s1.
What are the key properties of 2-bromo-N-methyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]benzenesulfonamide?
2-bromo-N-methyl-N-[[5-[(1R,2R)-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-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 30142898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).