2-chloro-5-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride

C13H15Cl2NO4S — CID 65370822

IUPAC2-chloro-5-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride
SMILESO=C(NCCC1CCCO1)c1ccc(Cl)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C13H15Cl2NO4S/c14-11-4-3-9(8-12(11)21(15,18)19)13(17)16-6-5-10-2-1-7-20-10/h3-4,8,10H,1-2,5-7H2,(H,16,17)
InChIKeyUUMPXKMFHBLYAO-UHFFFAOYSA-N
MW352.24 g/mol
LogP2.57
Rot. Bonds5

About 2-chloro-5-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride

2-chloro-5-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride (PubChem CID 65370822) has the molecular formula C13H15Cl2NO4S and a molecular weight of 352.24 g/mol. Its IUPAC name is 2-chloro-5-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name2-chloro-5-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride
PubChem CID65370822
Molecular FormulaC13H15Cl2NO4S
Molecular Weight352.24 g/mol
Exact Mass351.01
IUPAC Name2-chloro-5-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride
SMILESO=C(NCCC1CCCO1)c1ccc(Cl)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C13H15Cl2NO4S/c14-11-4-3-9(8-12(11)21(15,18)19)13(17)16-6-5-10-2-1-7-20-10/h3-4,8,10H,1-2,5-7H2,(H,16,17)
InChIKeyUUMPXKMFHBLYAO-UHFFFAOYSA-N
XLogP2.57
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.24
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride
CID 65372937
3-chloro-5-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride
CID 65395828
3-amino-4-methyl-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 54915859
4-chloro-3-(dimethylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide
CID 46798182
4-chloro-N-(3-methylbutyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46514472
4-(3-aminoprop-1-ynyl)-3-chloro-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 81293317
3,4-dichloro-2-hydroxy-N-[2-[(2S)-oxolan-2-yl]ethyl]benzamide
CID 97010668
3-methyl-4-(methylamino)-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 55164039
3-amino-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 54915842
2-methoxy-5-(oxolan-2-ylmethylcarbamoyl)benzenesulfonyl chloride
CID 65368575
N-[2-(oxolan-2-yl)ethyl]-4-(trifluoromethylsulfonyl)benzamide
CID 55631834
methyl 3-[2-(oxolan-2-yl)ethylcarbamoyl]benzoate
CID 51086480

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride?
The IUPAC name of 2-chloro-5-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride (CID 65370822) is 2-chloro-5-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride.
What is the SMILES notation for 2-chloro-5-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride?
The canonical SMILES for 2-chloro-5-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride is O=C(NCCC1CCCO1)c1ccc(Cl)c(S(=O)(=O)Cl)c1.
What is the InChIKey of 2-chloro-5-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride?
The InChIKey is UUMPXKMFHBLYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO4S/c14-11-4-3-9(8-12(11)21(15,18)19)13(17)16-6-5-10-2-1-7-20-10/h3-4,8,10H,1-2,5-7H2,(H,16,17).
What are the key properties of 2-chloro-5-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride?
2-chloro-5-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride has a molecular weight of 352.24 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride is sourced from PubChem (CID 65370822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).