2-bromo-N-[(1R)-1-(furan-2-yl)ethyl]benzenesulfonamide

C12H12BrNO3S — CID 8817630

IUPAC2-bromo-N-[(1R)-1-(furan-2-yl)ethyl]benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccccc1Br)c1ccco1
InChIInChI=1S/C12H12BrNO3S/c1-9(11-6-4-8-17-11)14-18(15,16)12-7-3-2-5-10(12)13/h2-9,14H,1H3/t9-/m1/s1
InChIKeyNAZACXRGOMPVBL-SECBINFHSA-N
MW330.20 g/mol
LogP3.08
Rot. Bonds4

About 2-bromo-N-[(1R)-1-(furan-2-yl)ethyl]benzenesulfonamide

2-bromo-N-[(1R)-1-(furan-2-yl)ethyl]benzenesulfonamide (PubChem CID 8817630) has the molecular formula C12H12BrNO3S and a molecular weight of 330.20 g/mol. Its IUPAC name is 2-bromo-N-[(1R)-1-(furan-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[(1R)-1-(furan-2-yl)ethyl]benzenesulfonamide
PubChem CID8817630
Molecular FormulaC12H12BrNO3S
Molecular Weight330.20 g/mol
Exact Mass328.97
IUPAC Name2-bromo-N-[(1R)-1-(furan-2-yl)ethyl]benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccccc1Br)c1ccco1
InChIInChI=1S/C12H12BrNO3S/c1-9(11-6-4-8-17-11)14-18(15,16)12-7-3-2-5-10(12)13/h2-9,14H,1H3/t9-/m1/s1
InChIKeyNAZACXRGOMPVBL-SECBINFHSA-N
XLogP3.08
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.20
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-bromo-4-fluoro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide
CID 106491416
2-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]benzenesulfonamide
CID 26944075
5-bromo-N-[(1R)-1-(furan-2-yl)ethyl]-2-methoxybenzenesulfonamide
CID 8817696
2,3,4-trifluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 8817589
2-bromo-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide
CID 25043542
2-bromo-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 46799998
5-amino-N-[1-(furan-2-yl)ethyl]-2,3-dimethylbenzenesulfonamide
CID 43535591
2-(aminomethyl)-N-[1-(furan-2-yl)ethyl]pyridine-3-sulfonamide
CID 106593879
4-chloro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 8817386
4-amino-2-chloro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide
CID 43535601
N-[(1R)-1-(furan-2-yl)ethyl]ethanesulfonamide
CID 81400303
N-[1-(furan-2-yl)ethyl]-2-(propylamino)pyridine-3-sulfonamide
CID 62145541

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(1R)-1-(furan-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-[(1R)-1-(furan-2-yl)ethyl]benzenesulfonamide (CID 8817630) is 2-bromo-N-[(1R)-1-(furan-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[(1R)-1-(furan-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[(1R)-1-(furan-2-yl)ethyl]benzenesulfonamide is C[C@@H](NS(=O)(=O)c1ccccc1Br)c1ccco1.
What is the InChIKey of 2-bromo-N-[(1R)-1-(furan-2-yl)ethyl]benzenesulfonamide?
The InChIKey is NAZACXRGOMPVBL-SECBINFHSA-N. The full InChI is InChI=1S/C12H12BrNO3S/c1-9(11-6-4-8-17-11)14-18(15,16)12-7-3-2-5-10(12)13/h2-9,14H,1H3/t9-/m1/s1.
What are the key properties of 2-bromo-N-[(1R)-1-(furan-2-yl)ethyl]benzenesulfonamide?
2-bromo-N-[(1R)-1-(furan-2-yl)ethyl]benzenesulfonamide has a molecular weight of 330.20 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(1R)-1-(furan-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 8817630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).