3-bromo-N-(furan-3-ylmethyl)benzenesulfonamide

C11H10BrNO3S — CID 47204563

IUPAC3-bromo-N-(furan-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccoc1)c1cccc(Br)c1
InChIInChI=1S/C11H10BrNO3S/c12-10-2-1-3-11(6-10)17(14,15)13-7-9-4-5-16-8-9/h1-6,8,13H,7H2
InChIKeyDCKMCZZOHVUDIB-UHFFFAOYSA-N
MW316.18 g/mol
LogP2.52
Rot. Bonds4

About 3-bromo-N-(furan-3-ylmethyl)benzenesulfonamide

3-bromo-N-(furan-3-ylmethyl)benzenesulfonamide (PubChem CID 47204563) has the molecular formula C11H10BrNO3S and a molecular weight of 316.18 g/mol. Its IUPAC name is 3-bromo-N-(furan-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-(furan-3-ylmethyl)benzenesulfonamide
PubChem CID47204563
Molecular FormulaC11H10BrNO3S
Molecular Weight316.18 g/mol
Exact Mass314.96
IUPAC Name3-bromo-N-(furan-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccoc1)c1cccc(Br)c1
InChIInChI=1S/C11H10BrNO3S/c12-10-2-1-3-11(6-10)17(14,15)13-7-9-4-5-16-8-9/h1-6,8,13H,7H2
InChIKeyDCKMCZZOHVUDIB-UHFFFAOYSA-N
XLogP2.52
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.18
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-3-ylmethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 47204540
3-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide
CID 3749257
4-(2-chloroethyl)-N-(furan-3-ylmethyl)benzenesulfonamide
CID 115588808
3-[(3-bromophenyl)methylsulfamoyl]benzoic acid
CID 61401315
N-[(3-bromophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 145434130
3-bromo-N-(furan-3-ylmethyl)thiophene-2-sulfonamide
CID 115588809
3-acetyl-N-[(3-bromophenyl)methyl]benzenesulfonamide
CID 61410420
N-(2-aminoethyl)-3-bromobenzenesulfonamide;hydrochloride
CID 119960213
3-chloro-4-(ethylaminomethyl)-N-(furan-3-ylmethyl)benzenesulfonamide
CID 107091695
N-[(4-bromophenyl)methyl]-3-methylbenzenesulfonamide
CID 4994624
6-(aminomethyl)-N-(furan-3-ylmethyl)pyridine-3-sulfonamide
CID 114613762
3-bromo-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 54951763

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(furan-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-bromo-N-(furan-3-ylmethyl)benzenesulfonamide (CID 47204563) is 3-bromo-N-(furan-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-(furan-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-N-(furan-3-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1ccoc1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(furan-3-ylmethyl)benzenesulfonamide?
The InChIKey is DCKMCZZOHVUDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO3S/c12-10-2-1-3-11(6-10)17(14,15)13-7-9-4-5-16-8-9/h1-6,8,13H,7H2.
What are the key properties of 3-bromo-N-(furan-3-ylmethyl)benzenesulfonamide?
3-bromo-N-(furan-3-ylmethyl)benzenesulfonamide has a molecular weight of 316.18 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(furan-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 47204563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).