1-(2-chlorophenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]methanesulfonamide

C14H16ClNO4S — CID 90523851

IUPAC1-(2-chlorophenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)NCCC(O)c1ccco1
InChIInChI=1S/C14H16ClNO4S/c15-12-5-2-1-4-11(12)10-21(18,19)16-8-7-13(17)14-6-3-9-20-14/h1-6,9,13,16-17H,7-8,10H2
InChIKeyKOGLJFRAFTYHRU-UHFFFAOYSA-N
MW329.81 g/mol
LogP2.48
Rot. Bonds7

About 1-(2-chlorophenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]methanesulfonamide

1-(2-chlorophenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]methanesulfonamide (PubChem CID 90523851) has the molecular formula C14H16ClNO4S and a molecular weight of 329.81 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]methanesulfonamide
PubChem CID90523851
Molecular FormulaC14H16ClNO4S
Molecular Weight329.81 g/mol
Exact Mass329.05
IUPAC Name1-(2-chlorophenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)NCCC(O)c1ccco1
InChIInChI=1S/C14H16ClNO4S/c15-12-5-2-1-4-11(12)10-21(18,19)16-8-7-13(17)14-6-3-9-20-14/h1-6,9,13,16-17H,7-8,10H2
InChIKeyKOGLJFRAFTYHRU-UHFFFAOYSA-N
XLogP2.48
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.81
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]methanesulfonamide
CID 97014801
1-(2-chlorophenyl)-N-[(3R)-3-hydroxy-3-phenylpropyl]methanesulfonamide
CID 97014800
2-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]benzenesulfonamide
CID 71787723
1-(2-chlorophenyl)-N-(3-hydroxybutyl)methanesulfonamide
CID 111977012
1-bromo-N-[3-(furan-2-yl)-3-hydroxypropyl]methanesulfonamide
CID 90523810
N-[3-(furan-2-yl)-3-hydroxypropyl]propane-1-sulfonamide
CID 90523800
N-[3-(furan-2-yl)-3-hydroxypropyl]-2-phenylethanesulfonamide
CID 90523818
5-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]thiophene-2-sulfonamide
CID 90523835
2-[(2-chlorophenyl)methylsulfonylamino]-N-(furan-2-ylmethyl)acetamide
CID 22299375
N-[(2-chlorophenyl)methylsulfonyl]furan-2-carboxamide
CID 71859596
1-(2-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]methanesulfonamide
CID 121085981
1-(2-chlorophenyl)-N-(2-methylpropyl)methanesulfonamide
CID 17257571

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]methanesulfonamide (CID 90523851) is 1-(2-chlorophenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]methanesulfonamide is O=S(=O)(Cc1ccccc1Cl)NCCC(O)c1ccco1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]methanesulfonamide?
The InChIKey is KOGLJFRAFTYHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO4S/c15-12-5-2-1-4-11(12)10-21(18,19)16-8-7-13(17)14-6-3-9-20-14/h1-6,9,13,16-17H,7-8,10H2.
What are the key properties of 1-(2-chlorophenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]methanesulfonamide?
1-(2-chlorophenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]methanesulfonamide has a molecular weight of 329.81 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]methanesulfonamide is sourced from PubChem (CID 90523851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).