5-bromo-N-(furan-2-ylmethyl)-2-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide

C17H20BrNO5S — CID 6618527

IUPAC5-bromo-N-(furan-2-ylmethyl)-2-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)N(Cc1ccco1)CC1CCCO1
InChIInChI=1S/C17H20BrNO5S/c1-22-16-7-6-13(18)10-17(16)25(20,21)19(11-14-4-2-8-23-14)12-15-5-3-9-24-15/h2,4,6-8,10,15H,3,5,9,11-12H2,1H3
InChIKeyPDDZOCQPUJJTKI-UHFFFAOYSA-N
MW430.32 g/mol
LogP3.42
Rot. Bonds7

About 5-bromo-N-(furan-2-ylmethyl)-2-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide

5-bromo-N-(furan-2-ylmethyl)-2-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide (PubChem CID 6618527) has the molecular formula C17H20BrNO5S and a molecular weight of 430.32 g/mol. Its IUPAC name is 5-bromo-N-(furan-2-ylmethyl)-2-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-(furan-2-ylmethyl)-2-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
PubChem CID6618527
Molecular FormulaC17H20BrNO5S
Molecular Weight430.32 g/mol
Exact Mass429.02
IUPAC Name5-bromo-N-(furan-2-ylmethyl)-2-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)N(Cc1ccco1)CC1CCCO1
InChIInChI=1S/C17H20BrNO5S/c1-22-16-7-6-13(18)10-17(16)25(20,21)19(11-14-4-2-8-23-14)12-15-5-3-9-24-15/h2,4,6-8,10,15H,3,5,9,11-12H2,1H3
InChIKeyPDDZOCQPUJJTKI-UHFFFAOYSA-N
XLogP3.42
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.32
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 5224121
5-bromo-N-(furan-2-ylmethyl)-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 30668627
1-N-benzyl-1-N-ethyl-4-N-(furan-2-ylmethyl)-4-N-[[(2S)-oxolan-2-yl]methyl]benzene-1,4-disulfonamide
CID 25410526
2-bromo-4,5-dimethoxy-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 17429230
4-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3192388
(3R)-6-bromo-3-[[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1,3-dihydroindol-2-one
CID 98857336
2-amino-5-bromo-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 61106070
4-chloro-N-(furan-2-ylmethyl)-3-nitro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 42664623
3-(2,5-dibromophenyl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea
CID 60577447
1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 773145
N-[(2-methoxyphenyl)methyl]-3,4-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 51725760
3-cyclopentylidene-N-(furan-2-ylmethyl)-1-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]indole-5-sulfonamide
CID 94069364

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(furan-2-ylmethyl)-2-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-bromo-N-(furan-2-ylmethyl)-2-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide (CID 6618527) is 5-bromo-N-(furan-2-ylmethyl)-2-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-N-(furan-2-ylmethyl)-2-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-bromo-N-(furan-2-ylmethyl)-2-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)N(Cc1ccco1)CC1CCCO1.
What is the InChIKey of 5-bromo-N-(furan-2-ylmethyl)-2-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The InChIKey is PDDZOCQPUJJTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO5S/c1-22-16-7-6-13(18)10-17(16)25(20,21)19(11-14-4-2-8-23-14)12-15-5-3-9-24-15/h2,4,6-8,10,15H,3,5,9,11-12H2,1H3.
What are the key properties of 5-bromo-N-(furan-2-ylmethyl)-2-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide?
5-bromo-N-(furan-2-ylmethyl)-2-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide has a molecular weight of 430.32 g/mol, XLogP of 3.42, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(furan-2-ylmethyl)-2-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 6618527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).