4-bromo-N-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide

C16H14BrNO5S3 — CID 18574164

IUPAC4-bromo-N-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
SMILESO=S(=O)(NCC(c1ccco1)S(=O)(=O)c1cccs1)c1ccc(Br)cc1
InChIInChI=1S/C16H14BrNO5S3/c17-12-5-7-13(8-6-12)26(21,22)18-11-15(14-3-1-9-23-14)25(19,20)16-4-2-10-24-16/h1-10,15,18H,11H2
InChIKeySUWXVLZRBURDNV-UHFFFAOYSA-N
MW476.40 g/mol
LogP3.60
Rot. Bonds7

About 4-bromo-N-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide

4-bromo-N-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide (PubChem CID 18574164) has the molecular formula C16H14BrNO5S3 and a molecular weight of 476.40 g/mol. Its IUPAC name is 4-bromo-N-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
PubChem CID18574164
Molecular FormulaC16H14BrNO5S3
Molecular Weight476.40 g/mol
Exact Mass474.92
IUPAC Name4-bromo-N-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
SMILESO=S(=O)(NCC(c1ccco1)S(=O)(=O)c1cccs1)c1ccc(Br)cc1
InChIInChI=1S/C16H14BrNO5S3/c17-12-5-7-13(8-6-12)26(21,22)18-11-15(14-3-1-9-23-14)25(19,20)16-4-2-10-24-16/h1-10,15,18H,11H2
InChIKeySUWXVLZRBURDNV-UHFFFAOYSA-N
XLogP3.60
TPSA93.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-4-phenylbenzenesulfonamide
CID 41193256
N-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-4-nitrobenzenesulfonamide
CID 18574167
N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 41193244
N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-2,5-dimethylbenzenesulfonamide
CID 41193242
5-fluoro-N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-2-methoxybenzenesulfonamide
CID 40775212
N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]butanamide
CID 7268311
4-tert-butyl-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
CID 51662803
4-chloro-N-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]benzamide
CID 7268351
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluorobenzenesulfonamide
CID 41193089
N'-cyclopropyl-N-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide
CID 22584668
N-[2-(dimethylamino)ethyl]-N'-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide
CID 22584641
1-cyclohexyl-3-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]urea
CID 110315206

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide (CID 18574164) is 4-bromo-N-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide is O=S(=O)(NCC(c1ccco1)S(=O)(=O)c1cccs1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide?
The InChIKey is SUWXVLZRBURDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO5S3/c17-12-5-7-13(8-6-12)26(21,22)18-11-15(14-3-1-9-23-14)25(19,20)16-4-2-10-24-16/h1-10,15,18H,11H2.
What are the key properties of 4-bromo-N-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide?
4-bromo-N-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide has a molecular weight of 476.40 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide is sourced from PubChem (CID 18574164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).