N-(4-chlorophenyl)sulfonyl-2-(oxolan-2-ylmethoxy)propanamide

C14H18ClNO5S — CID 71884607

IUPACN-(4-chlorophenyl)sulfonyl-2-(oxolan-2-ylmethoxy)propanamide
SMILESCC(OCC1CCCO1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO5S/c1-10(21-9-12-3-2-8-20-12)14(17)16-22(18,19)13-6-4-11(15)5-7-13/h4-7,10,12H,2-3,8-9H2,1H3,(H,16,17)
InChIKeyKVNBDFCMTPDCBH-UHFFFAOYSA-N
MW347.82 g/mol
LogP1.73
Rot. Bonds6

About N-(4-chlorophenyl)sulfonyl-2-(oxolan-2-ylmethoxy)propanamide

N-(4-chlorophenyl)sulfonyl-2-(oxolan-2-ylmethoxy)propanamide (PubChem CID 71884607) has the molecular formula C14H18ClNO5S and a molecular weight of 347.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)sulfonyl-2-(oxolan-2-ylmethoxy)propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)sulfonyl-2-(oxolan-2-ylmethoxy)propanamide
PubChem CID71884607
Molecular FormulaC14H18ClNO5S
Molecular Weight347.82 g/mol
Exact Mass347.06
IUPAC NameN-(4-chlorophenyl)sulfonyl-2-(oxolan-2-ylmethoxy)propanamide
SMILESCC(OCC1CCCO1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO5S/c1-10(21-9-12-3-2-8-20-12)14(17)16-22(18,19)13-6-4-11(15)5-7-13/h4-7,10,12H,2-3,8-9H2,1H3,(H,16,17)
InChIKeyKVNBDFCMTPDCBH-UHFFFAOYSA-N
XLogP1.73
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.82
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(3-chlorophenyl)sulfonyl-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95269990
N-(3-chlorophenyl)sulfonyl-2-(oxolan-2-ylmethoxy)propanamide
CID 71884570
(2R)-N-(benzenesulfonyl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 95272601
(2R)-N-[(5-chloro-2-pyridinyl)sulfonyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide
CID 99807154
(2R)-N-naphthalen-2-ylsulfonyl-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95269930
(2S)-N-(3-methylphenyl)sulfonyl-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95269998
N-(3-methylphenyl)sulfonyl-2-(oxolan-2-ylmethoxy)propanamide
CID 75417596
(2R)-N-(3-cyanophenyl)sulfonyl-2-[[(2R)-oxolan-2-yl]methoxy]propanamide
CID 95270061
(2R)-N-(2,5-dimethylphenyl)sulfonyl-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95269973
N-(3-cyanophenyl)sulfonyl-2-(oxan-2-ylmethoxy)propanamide
CID 71882542
(2R)-2-[[(2R)-oxan-2-yl]methoxy]-N-thiophen-2-ylsulfonylpropanamide
CID 95272613
(2R)-N-(5-bromothiophen-2-yl)sulfonyl-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 97209318

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)sulfonyl-2-(oxolan-2-ylmethoxy)propanamide?
The IUPAC name of N-(4-chlorophenyl)sulfonyl-2-(oxolan-2-ylmethoxy)propanamide (CID 71884607) is N-(4-chlorophenyl)sulfonyl-2-(oxolan-2-ylmethoxy)propanamide.
What is the SMILES notation for N-(4-chlorophenyl)sulfonyl-2-(oxolan-2-ylmethoxy)propanamide?
The canonical SMILES for N-(4-chlorophenyl)sulfonyl-2-(oxolan-2-ylmethoxy)propanamide is CC(OCC1CCCO1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)sulfonyl-2-(oxolan-2-ylmethoxy)propanamide?
The InChIKey is KVNBDFCMTPDCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO5S/c1-10(21-9-12-3-2-8-20-12)14(17)16-22(18,19)13-6-4-11(15)5-7-13/h4-7,10,12H,2-3,8-9H2,1H3,(H,16,17).
What are the key properties of N-(4-chlorophenyl)sulfonyl-2-(oxolan-2-ylmethoxy)propanamide?
N-(4-chlorophenyl)sulfonyl-2-(oxolan-2-ylmethoxy)propanamide has a molecular weight of 347.82 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)sulfonyl-2-(oxolan-2-ylmethoxy)propanamide is sourced from PubChem (CID 71884607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).