3-[(2,6-dichlorophenyl)sulfonylamino]-N-(furan-3-ylmethyl)propanamide

C14H14Cl2N2O4S — CID 51120099

IUPAC3-[(2,6-dichlorophenyl)sulfonylamino]-N-(furan-3-ylmethyl)propanamide
SMILESO=C(CCNS(=O)(=O)c1c(Cl)cccc1Cl)NCc1ccoc1
InChIInChI=1S/C14H14Cl2N2O4S/c15-11-2-1-3-12(16)14(11)23(20,21)18-6-4-13(19)17-8-10-5-7-22-9-10/h1-3,5,7,9,18H,4,6,8H2,(H,17,19)
InChIKeyMKIHJVJSWAKZCG-UHFFFAOYSA-N
MW377.25 g/mol
LogP2.57
Rot. Bonds7

About 3-[(2,6-dichlorophenyl)sulfonylamino]-N-(furan-3-ylmethyl)propanamide

3-[(2,6-dichlorophenyl)sulfonylamino]-N-(furan-3-ylmethyl)propanamide (PubChem CID 51120099) has the molecular formula C14H14Cl2N2O4S and a molecular weight of 377.25 g/mol. Its IUPAC name is 3-[(2,6-dichlorophenyl)sulfonylamino]-N-(furan-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[(2,6-dichlorophenyl)sulfonylamino]-N-(furan-3-ylmethyl)propanamide
PubChem CID51120099
Molecular FormulaC14H14Cl2N2O4S
Molecular Weight377.25 g/mol
Exact Mass376.01
IUPAC Name3-[(2,6-dichlorophenyl)sulfonylamino]-N-(furan-3-ylmethyl)propanamide
SMILESO=C(CCNS(=O)(=O)c1c(Cl)cccc1Cl)NCc1ccoc1
InChIInChI=1S/C14H14Cl2N2O4S/c15-11-2-1-3-12(16)14(11)23(20,21)18-6-4-13(19)17-8-10-5-7-22-9-10/h1-3,5,7,9,18H,4,6,8H2,(H,17,19)
InChIKeyMKIHJVJSWAKZCG-UHFFFAOYSA-N
XLogP2.57
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.25
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[(2,6-dichlorophenyl)sulfonylamino]propanoylamino]butanoic acid
CID 119352507
3-[(2,6-dichlorophenyl)sulfonylamino]propanoic acid
CID 697936
N-(3-aminobutyl)-3-[(2,6-dichlorophenyl)sulfonylamino]propanamide
CID 119498614
3-[(2-chlorophenyl)sulfonylamino]-N-(thiophen-3-ylmethyl)propanamide
CID 55694010
2-(2-chlorophenyl)-N-[2-(furan-3-yl)ethyl]acetamide
CID 71798453
3-[(2-chlorophenyl)sulfonylamino]-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide
CID 55635678
N-[1-(aminomethyl)cyclopentyl]-3-[(2,6-dichlorophenyl)sulfonylamino]propanamide;hydrochloride
CID 119567663
N-(2-amino-1-cyclopropylethyl)-3-[(2,6-dichlorophenyl)sulfonylamino]propanamide
CID 119616695
3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
CID 25404246
3-[(3-bromophenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]propanamide
CID 26692180
3-(benzenesulfonamido)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 18119432
3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 51162022

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dichlorophenyl)sulfonylamino]-N-(furan-3-ylmethyl)propanamide?
The IUPAC name of 3-[(2,6-dichlorophenyl)sulfonylamino]-N-(furan-3-ylmethyl)propanamide (CID 51120099) is 3-[(2,6-dichlorophenyl)sulfonylamino]-N-(furan-3-ylmethyl)propanamide.
What is the SMILES notation for 3-[(2,6-dichlorophenyl)sulfonylamino]-N-(furan-3-ylmethyl)propanamide?
The canonical SMILES for 3-[(2,6-dichlorophenyl)sulfonylamino]-N-(furan-3-ylmethyl)propanamide is O=C(CCNS(=O)(=O)c1c(Cl)cccc1Cl)NCc1ccoc1.
What is the InChIKey of 3-[(2,6-dichlorophenyl)sulfonylamino]-N-(furan-3-ylmethyl)propanamide?
The InChIKey is MKIHJVJSWAKZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O4S/c15-11-2-1-3-12(16)14(11)23(20,21)18-6-4-13(19)17-8-10-5-7-22-9-10/h1-3,5,7,9,18H,4,6,8H2,(H,17,19).
What are the key properties of 3-[(2,6-dichlorophenyl)sulfonylamino]-N-(furan-3-ylmethyl)propanamide?
3-[(2,6-dichlorophenyl)sulfonylamino]-N-(furan-3-ylmethyl)propanamide has a molecular weight of 377.25 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dichlorophenyl)sulfonylamino]-N-(furan-3-ylmethyl)propanamide is sourced from PubChem (CID 51120099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).