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

C13H15Cl2NO4S — CID 65372937

IUPAC4-chloro-3-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride
SMILESO=C(NCCC1CCCO1)c1cc(S(=O)(=O)Cl)ccc1Cl
InChIInChI=1S/C13H15Cl2NO4S/c14-12-4-3-10(21(15,18)19)8-11(12)13(17)16-6-5-9-2-1-7-20-9/h3-4,8-9H,1-2,5-7H2,(H,16,17)
InChIKeyVLFKJYLGYLCHJT-UHFFFAOYSA-N
MW352.24 g/mol
LogP2.57
Rot. Bonds5

About 4-chloro-3-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride

4-chloro-3-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride (PubChem CID 65372937) has the molecular formula C13H15Cl2NO4S and a molecular weight of 352.24 g/mol. Its IUPAC name is 4-chloro-3-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-chloro-3-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride
PubChem CID65372937
Molecular FormulaC13H15Cl2NO4S
Molecular Weight352.24 g/mol
Exact Mass351.01
IUPAC Name4-chloro-3-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride
SMILESO=C(NCCC1CCCO1)c1cc(S(=O)(=O)Cl)ccc1Cl
InChIInChI=1S/C13H15Cl2NO4S/c14-12-4-3-10(21(15,18)19)8-11(12)13(17)16-6-5-9-2-1-7-20-9/h3-4,8-9H,1-2,5-7H2,(H,16,17)
InChIKeyVLFKJYLGYLCHJT-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

2-chloro-5-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride
CID 65370822
3-chloro-5-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride
CID 65395828
3,4-dichloro-2-hydroxy-N-[2-[(2S)-oxolan-2-yl]ethyl]benzamide
CID 97010668
4-chloro-2-fluoro-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 42950494
4-chloro-3-(oxan-3-ylmethylcarbamoyl)benzenesulfonyl chloride
CID 65396604
3-chloro-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
CID 66482577
4-bromo-3-(oxan-2-ylmethylcarbamoyl)benzenesulfonyl chloride
CID 65370814
4-chloro-3-(cyclohexylmethylcarbamoyl)benzenesulfonyl chloride
CID 65371129
N-[2-(oxolan-2-yl)ethyl]-4-(trifluoromethylsulfonyl)benzamide
CID 55631834
2-chloro-6-fluoro-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 110731260
4-chloro-3-(cyclopentylcarbamoyl)benzenesulfonyl chloride
CID 65368103
5-[(4-bromophenyl)sulfamoyl]-2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 2083754

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride?
The IUPAC name of 4-chloro-3-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride (CID 65372937) is 4-chloro-3-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride.
What is the SMILES notation for 4-chloro-3-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride?
The canonical SMILES for 4-chloro-3-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride is O=C(NCCC1CCCO1)c1cc(S(=O)(=O)Cl)ccc1Cl.
What is the InChIKey of 4-chloro-3-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride?
The InChIKey is VLFKJYLGYLCHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO4S/c14-12-4-3-10(21(15,18)19)8-11(12)13(17)16-6-5-9-2-1-7-20-9/h3-4,8-9H,1-2,5-7H2,(H,16,17).
What are the key properties of 4-chloro-3-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride?
4-chloro-3-[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 4-chloro-3-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride is sourced from PubChem (CID 65372937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).