3-bromo-N-piperidin-1-ylsulfonylfuran-2-carboxamide

C10H13BrN2O4S — CID 71859634

IUPAC3-bromo-N-piperidin-1-ylsulfonylfuran-2-carboxamide
SMILESO=C(NS(=O)(=O)N1CCCCC1)c1occc1Br
InChIInChI=1S/C10H13BrN2O4S/c11-8-4-7-17-9(8)10(14)12-18(15,16)13-5-2-1-3-6-13/h4,7H,1-3,5-6H2,(H,12,14)
InChIKeyDVZXVNZRPXPYNY-UHFFFAOYSA-N
MW337.20 g/mol
LogP1.50
Rot. Bonds3

About 3-bromo-N-piperidin-1-ylsulfonylfuran-2-carboxamide

3-bromo-N-piperidin-1-ylsulfonylfuran-2-carboxamide (PubChem CID 71859634) has the molecular formula C10H13BrN2O4S and a molecular weight of 337.20 g/mol. Its IUPAC name is 3-bromo-N-piperidin-1-ylsulfonylfuran-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-piperidin-1-ylsulfonylfuran-2-carboxamide
PubChem CID71859634
Molecular FormulaC10H13BrN2O4S
Molecular Weight337.20 g/mol
Exact Mass335.98
IUPAC Name3-bromo-N-piperidin-1-ylsulfonylfuran-2-carboxamide
SMILESO=C(NS(=O)(=O)N1CCCCC1)c1occc1Br
InChIInChI=1S/C10H13BrN2O4S/c11-8-4-7-17-9(8)10(14)12-18(15,16)13-5-2-1-3-6-13/h4,7H,1-3,5-6H2,(H,12,14)
InChIKeyDVZXVNZRPXPYNY-UHFFFAOYSA-N
XLogP1.50
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.20
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-N-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 71887653
1-(3-bromofuran-2-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one
CID 79056102
4-bromo-1-methyl-N-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 99837354
2-[(azocan-1-ylsulfonylamino)methyl]furan-3-carboxylic acid
CID 166295198
1-cyclopropyl-N-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 84597196
N-piperidin-1-ylsulfonylacetamide
CID 59405916
N-piperidin-1-ylsulfonyl-1-propan-2-ylpyrrole-2-carboxamide
CID 75514495
3-methyl-N-pyrrolidin-1-ylsulfonylbenzamide
CID 47363389
3-bromo-N-but-3-yn-2-ylfuran-2-carboxamide
CID 130659208
3-bromo-N-(2-methylcyclopropyl)furan-2-carboxamide
CID 130693285
N-(2-amino-2-oxoethyl)-3-bromofuran-2-carboxamide
CID 130634636
3-methoxy-4-methyl-N-piperidin-1-ylsulfonylbenzamide
CID 60565196

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-piperidin-1-ylsulfonylfuran-2-carboxamide?
The IUPAC name of 3-bromo-N-piperidin-1-ylsulfonylfuran-2-carboxamide (CID 71859634) is 3-bromo-N-piperidin-1-ylsulfonylfuran-2-carboxamide.
What is the SMILES notation for 3-bromo-N-piperidin-1-ylsulfonylfuran-2-carboxamide?
The canonical SMILES for 3-bromo-N-piperidin-1-ylsulfonylfuran-2-carboxamide is O=C(NS(=O)(=O)N1CCCCC1)c1occc1Br.
What is the InChIKey of 3-bromo-N-piperidin-1-ylsulfonylfuran-2-carboxamide?
The InChIKey is DVZXVNZRPXPYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O4S/c11-8-4-7-17-9(8)10(14)12-18(15,16)13-5-2-1-3-6-13/h4,7H,1-3,5-6H2,(H,12,14).
What are the key properties of 3-bromo-N-piperidin-1-ylsulfonylfuran-2-carboxamide?
3-bromo-N-piperidin-1-ylsulfonylfuran-2-carboxamide has a molecular weight of 337.20 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-piperidin-1-ylsulfonylfuran-2-carboxamide is sourced from PubChem (CID 71859634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).