3-bromo-4-methoxy-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide

C14H16BrNO4S — CID 30964155

IUPAC3-bromo-4-methoxy-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C)o2)cc1Br
InChIInChI=1S/C14H16BrNO4S/c1-9-4-6-13(20-9)10(2)16-21(17,18)11-5-7-14(19-3)12(15)8-11/h4-8,10,16H,1-3H3/t10-/m1/s1
InChIKeyRHYRVXNHUUDJRX-SNVBAGLBSA-N
MW374.26 g/mol
LogP3.40
Rot. Bonds5

About 3-bromo-4-methoxy-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide

3-bromo-4-methoxy-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide (PubChem CID 30964155) has the molecular formula C14H16BrNO4S and a molecular weight of 374.26 g/mol. Its IUPAC name is 3-bromo-4-methoxy-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-methoxy-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
PubChem CID30964155
Molecular FormulaC14H16BrNO4S
Molecular Weight374.26 g/mol
Exact Mass373.00
IUPAC Name3-bromo-4-methoxy-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C)o2)cc1Br
InChIInChI=1S/C14H16BrNO4S/c1-9-4-6-13(20-9)10(2)16-21(17,18)11-5-7-14(19-3)12(15)8-11/h4-8,10,16H,1-3H3/t10-/m1/s1
InChIKeyRHYRVXNHUUDJRX-SNVBAGLBSA-N
XLogP3.40
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.26
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 106611673
5-bromo-2-methoxy-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 60652261
3-bromo-4-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
CID 133165455
3-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-methoxybenzenesulfonamide
CID 55627830
4-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 60652418
methyl 2-[(3-bromo-4-methoxyphenyl)sulfonylamino]propanoate
CID 55029414
3,5-dichloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 43025926
N-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 8817788
N-[1-(2-bromophenyl)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 55681681
3,4-dimethoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
CID 133217933
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 9189772
3-bromo-N-(1-ethoxy-3-methylbutan-2-yl)-4-methoxybenzenesulfonamide
CID 103270413

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-bromo-4-methoxy-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide (CID 30964155) is 3-bromo-4-methoxy-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-methoxy-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-bromo-4-methoxy-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C)o2)cc1Br.
What is the InChIKey of 3-bromo-4-methoxy-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide?
The InChIKey is RHYRVXNHUUDJRX-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H16BrNO4S/c1-9-4-6-13(20-9)10(2)16-21(17,18)11-5-7-14(19-3)12(15)8-11/h4-8,10,16H,1-3H3/t10-/m1/s1.
What are the key properties of 3-bromo-4-methoxy-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide?
3-bromo-4-methoxy-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide has a molecular weight of 374.26 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxy-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 30964155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).