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

C13H15Cl2NO4S — CID 65395828

IUPAC3-chloro-5-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride
SMILESO=C(NCCC1CCCO1)c1cc(Cl)cc(S(=O)(=O)Cl)c1
InChIInChI=1S/C13H15Cl2NO4S/c14-10-6-9(7-12(8-10)21(15,18)19)13(17)16-4-3-11-2-1-5-20-11/h6-8,11H,1-5H2,(H,16,17)
InChIKeyNMZIJBMMQJQFAO-UHFFFAOYSA-N
MW352.24 g/mol
LogP2.57
Rot. Bonds5

About 3-chloro-5-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride

3-chloro-5-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride (PubChem CID 65395828) has the molecular formula C13H15Cl2NO4S and a molecular weight of 352.24 g/mol. Its IUPAC name is 3-chloro-5-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name3-chloro-5-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride
PubChem CID65395828
Molecular FormulaC13H15Cl2NO4S
Molecular Weight352.24 g/mol
Exact Mass351.01
IUPAC Name3-chloro-5-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride
SMILESO=C(NCCC1CCCO1)c1cc(Cl)cc(S(=O)(=O)Cl)c1
InChIInChI=1S/C13H15Cl2NO4S/c14-10-6-9(7-12(8-10)21(15,18)19)13(17)16-4-3-11-2-1-5-20-11/h6-8,11H,1-5H2,(H,16,17)
InChIKeyNMZIJBMMQJQFAO-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

3-bromo-5-chloro-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 113286146
4-chloro-3-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride
CID 65372937
2-chloro-5-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride
CID 65370822
2-amino-6-chloro-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
CID 55042052
4-chloro-2-fluoro-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 42950494
N-[2-(oxolan-2-yl)ethyl]-4-(trifluoromethylsulfonyl)benzamide
CID 55631834
2-chloro-6-hydrazinyl-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
CID 62249166
N-[2-(oxan-2-yl)ethyl]-4-sulfamoylbenzamide
CID 103993185
2-chloro-6-methyl-N-[2-(oxan-2-yl)ethyl]pyridine-4-carboxamide
CID 104952816
5-chloro-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80625558
3-amino-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 54915842
methyl 3-[2-(oxolan-2-yl)ethylcarbamoyl]benzoate
CID 51086480

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride?
The IUPAC name of 3-chloro-5-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride (CID 65395828) is 3-chloro-5-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride.
What is the SMILES notation for 3-chloro-5-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride?
The canonical SMILES for 3-chloro-5-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride is O=C(NCCC1CCCO1)c1cc(Cl)cc(S(=O)(=O)Cl)c1.
What is the InChIKey of 3-chloro-5-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride?
The InChIKey is NMZIJBMMQJQFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO4S/c14-10-6-9(7-12(8-10)21(15,18)19)13(17)16-4-3-11-2-1-5-20-11/h6-8,11H,1-5H2,(H,16,17).
What are the key properties of 3-chloro-5-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride?
3-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 3-chloro-5-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride is sourced from PubChem (CID 65395828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).