3-bromo-N-(furan-3-ylmethyl)thiophene-2-sulfonamide

C9H8BrNO3S2 — CID 115588809

IUPAC3-bromo-N-(furan-3-ylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ccoc1)c1sccc1Br
InChIInChI=1S/C9H8BrNO3S2/c10-8-2-4-15-9(8)16(12,13)11-5-7-1-3-14-6-7/h1-4,6,11H,5H2
InChIKeyWBMCAWUVWYQKQM-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.58
Rot. Bonds4

About 3-bromo-N-(furan-3-ylmethyl)thiophene-2-sulfonamide

3-bromo-N-(furan-3-ylmethyl)thiophene-2-sulfonamide (PubChem CID 115588809) has the molecular formula C9H8BrNO3S2 and a molecular weight of 322.21 g/mol. Its IUPAC name is 3-bromo-N-(furan-3-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-(furan-3-ylmethyl)thiophene-2-sulfonamide
PubChem CID115588809
Molecular FormulaC9H8BrNO3S2
Molecular Weight322.21 g/mol
Exact Mass320.91
IUPAC Name3-bromo-N-(furan-3-ylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ccoc1)c1sccc1Br
InChIInChI=1S/C9H8BrNO3S2/c10-8-2-4-15-9(8)16(12,13)11-5-7-1-3-14-6-7/h1-4,6,11H,5H2
InChIKeyWBMCAWUVWYQKQM-UHFFFAOYSA-N
XLogP2.58
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
CID 61073398
3-bromo-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide
CID 61072677
3-bromo-N-ethylthiophene-2-sulfonamide
CID 61072476
3-bromo-N-[[2-(dimethylamino)-4-pyridinyl]methyl]thiophene-2-sulfonamide
CID 87032497
3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]thiophene-2-sulfonamide
CID 55086258
3-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide
CID 106406982
3-bromo-N-(furan-3-ylmethyl)benzenesulfonamide
CID 47204563
3-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide
CID 54952391
3-bromo-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide
CID 61073302
3-bromo-N-(cyanomethyl)thiophene-2-sulfonamide
CID 61458188
3-bromo-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide
CID 61073396
3-bromo-N-(cyclohexylmethyl)thiophene-2-sulfonamide
CID 61074456

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(furan-3-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-(furan-3-ylmethyl)thiophene-2-sulfonamide (CID 115588809) is 3-bromo-N-(furan-3-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-(furan-3-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-(furan-3-ylmethyl)thiophene-2-sulfonamide is O=S(=O)(NCc1ccoc1)c1sccc1Br.
What is the InChIKey of 3-bromo-N-(furan-3-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is WBMCAWUVWYQKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO3S2/c10-8-2-4-15-9(8)16(12,13)11-5-7-1-3-14-6-7/h1-4,6,11H,5H2.
What are the key properties of 3-bromo-N-(furan-3-ylmethyl)thiophene-2-sulfonamide?
3-bromo-N-(furan-3-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 322.21 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(furan-3-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 115588809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).