3-chloro-4-morpholin-4-ylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide

C16H21ClN2O5S — CID 34551600

IUPAC3-chloro-4-morpholin-4-ylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@@H]1CCCO1)c1ccc(S(=O)(=O)N2CCOCC2)c(Cl)c1
InChIInChI=1S/C16H21ClN2O5S/c17-14-10-12(16(20)18-11-13-2-1-7-24-13)3-4-15(14)25(21,22)19-5-8-23-9-6-19/h3-4,10,13H,1-2,5-9,11H2,(H,18,20)/t13-/m0/s1
InChIKeyFQADEGHXHHQXFY-ZDUSSCGKSA-N
MW388.87 g/mol
LogP1.27
Rot. Bonds5

About 3-chloro-4-morpholin-4-ylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide

3-chloro-4-morpholin-4-ylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide (PubChem CID 34551600) has the molecular formula C16H21ClN2O5S and a molecular weight of 388.87 g/mol. Its IUPAC name is 3-chloro-4-morpholin-4-ylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-morpholin-4-ylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
PubChem CID34551600
Molecular FormulaC16H21ClN2O5S
Molecular Weight388.87 g/mol
Exact Mass388.09
IUPAC Name3-chloro-4-morpholin-4-ylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@@H]1CCCO1)c1ccc(S(=O)(=O)N2CCOCC2)c(Cl)c1
InChIInChI=1S/C16H21ClN2O5S/c17-14-10-12(16(20)18-11-13-2-1-7-24-13)3-4-15(14)25(21,22)19-5-8-23-9-6-19/h3-4,10,13H,1-2,5-9,11H2,(H,18,20)/t13-/m0/s1
InChIKeyFQADEGHXHHQXFY-ZDUSSCGKSA-N
XLogP1.27
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.87
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 18892278
3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 2963679
3-(1,4-oxazepan-4-ylsulfonyl)-N-(oxolan-2-ylmethyl)benzamide
CID 72929925
2,4-dichloro-N-[[(2S)-oxolan-2-yl]methyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 1091764
2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 30146041
2-methyl-5-morpholin-4-ylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7379557
2-methyl-5-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 2994738
4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 92874908
4-chloro-3-(dimethylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide
CID 46798182
5-morpholin-4-ylsulfonyl-N-[[(2R)-oxolan-2-yl]methyl]-2-pyrrolidin-1-ylbenzamide
CID 25361107
3-chloro-4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7426624
9,10-dioxo-N-[[(2S)-oxolan-2-yl]methyl]anthracene-2-carboxamide
CID 42559548

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-morpholin-4-ylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 3-chloro-4-morpholin-4-ylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide (CID 34551600) is 3-chloro-4-morpholin-4-ylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 3-chloro-4-morpholin-4-ylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 3-chloro-4-morpholin-4-ylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide is O=C(NC[C@@H]1CCCO1)c1ccc(S(=O)(=O)N2CCOCC2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-morpholin-4-ylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The InChIKey is FQADEGHXHHQXFY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21ClN2O5S/c17-14-10-12(16(20)18-11-13-2-1-7-24-13)3-4-15(14)25(21,22)19-5-8-23-9-6-19/h3-4,10,13H,1-2,5-9,11H2,(H,18,20)/t13-/m0/s1.
What are the key properties of 3-chloro-4-morpholin-4-ylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
3-chloro-4-morpholin-4-ylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide has a molecular weight of 388.87 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-morpholin-4-ylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 34551600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).