5-chloro-N-(oxan-2-ylmethylsulfonyl)furan-2-carboxamide

C11H14ClNO5S — CID 134813247

IUPAC5-chloro-N-(oxan-2-ylmethylsulfonyl)furan-2-carboxamide
SMILESO=C(NS(=O)(=O)CC1CCCCO1)c1ccc(Cl)o1
InChIInChI=1S/C11H14ClNO5S/c12-10-5-4-9(18-10)11(14)13-19(15,16)7-8-3-1-2-6-17-8/h4-5,8H,1-3,6-7H2,(H,13,14)
InChIKeyUYMZFUSBGDKMEX-UHFFFAOYSA-N
MW307.75 g/mol
LogP1.56
Rot. Bonds4

About 5-chloro-N-(oxan-2-ylmethylsulfonyl)furan-2-carboxamide

5-chloro-N-(oxan-2-ylmethylsulfonyl)furan-2-carboxamide (PubChem CID 134813247) has the molecular formula C11H14ClNO5S and a molecular weight of 307.75 g/mol. Its IUPAC name is 5-chloro-N-(oxan-2-ylmethylsulfonyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(oxan-2-ylmethylsulfonyl)furan-2-carboxamide
PubChem CID134813247
Molecular FormulaC11H14ClNO5S
Molecular Weight307.75 g/mol
Exact Mass307.03
IUPAC Name5-chloro-N-(oxan-2-ylmethylsulfonyl)furan-2-carboxamide
SMILESO=C(NS(=O)(=O)CC1CCCCO1)c1ccc(Cl)o1
InChIInChI=1S/C11H14ClNO5S/c12-10-5-4-9(18-10)11(14)13-19(15,16)7-8-3-1-2-6-17-8/h4-5,8H,1-3,6-7H2,(H,13,14)
InChIKeyUYMZFUSBGDKMEX-UHFFFAOYSA-N
XLogP1.56
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-[[(2R)-oxan-2-yl]methylsulfonyl]benzamide
CID 95619167
5-chloro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]furan-2-carboxamide
CID 46537419
2-bromo-5-(oxan-2-ylmethylsulfonylamino)benzoic acid
CID 136516784
N-[[(2S)-oxan-2-yl]methylsulfonyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
CID 99807012
5-chloro-N-(cyclohexylmethyl)furan-2-carboxamide
CID 35895984
5-bromo-4-methyl-N-(oxolan-2-ylmethylsulfonyl)thiophene-3-carboxamide
CID 136532717
(5-chlorofuran-2-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 103601974
2-[4-(oxan-2-ylmethylsulfonyl)phenyl]acetic acid
CID 43592044
4-chloro-3-(oxolan-2-ylmethylsulfonylamino)benzoic acid
CID 63246612
2-[4-(oxolan-2-ylmethylsulfonylamino)phenyl]acetic acid
CID 63246519
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(oxan-2-ylmethylsulfonyl)-1,3-oxazole-4-carboxamide
CID 166232588
N-[[(2R)-oxan-2-yl]methylsulfonyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 98284648

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(oxan-2-ylmethylsulfonyl)furan-2-carboxamide?
The IUPAC name of 5-chloro-N-(oxan-2-ylmethylsulfonyl)furan-2-carboxamide (CID 134813247) is 5-chloro-N-(oxan-2-ylmethylsulfonyl)furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(oxan-2-ylmethylsulfonyl)furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-(oxan-2-ylmethylsulfonyl)furan-2-carboxamide is O=C(NS(=O)(=O)CC1CCCCO1)c1ccc(Cl)o1.
What is the InChIKey of 5-chloro-N-(oxan-2-ylmethylsulfonyl)furan-2-carboxamide?
The InChIKey is UYMZFUSBGDKMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO5S/c12-10-5-4-9(18-10)11(14)13-19(15,16)7-8-3-1-2-6-17-8/h4-5,8H,1-3,6-7H2,(H,13,14).
What are the key properties of 5-chloro-N-(oxan-2-ylmethylsulfonyl)furan-2-carboxamide?
5-chloro-N-(oxan-2-ylmethylsulfonyl)furan-2-carboxamide has a molecular weight of 307.75 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(oxan-2-ylmethylsulfonyl)furan-2-carboxamide is sourced from PubChem (CID 134813247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).