2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide

C14H19ClN2O5S — CID 112991399

IUPAC2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCC(=O)NCC1CCCO1
InChIInChI=1S/C14H19ClN2O5S/c1-21-12-5-4-10(15)7-13(12)23(19,20)17-9-14(18)16-8-11-3-2-6-22-11/h4-5,7,11,17H,2-3,6,8-9H2,1H3,(H,16,18)
InChIKeyWIMYTVOXWJHMRR-UHFFFAOYSA-N
MW362.84 g/mol
LogP0.92
Rot. Bonds7

About 2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide

2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 112991399) has the molecular formula C14H19ClN2O5S and a molecular weight of 362.84 g/mol. Its IUPAC name is 2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID112991399
Molecular FormulaC14H19ClN2O5S
Molecular Weight362.84 g/mol
Exact Mass362.07
IUPAC Name2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCC(=O)NCC1CCCO1
InChIInChI=1S/C14H19ClN2O5S/c1-21-12-5-4-10(15)7-13(12)23(19,20)17-9-14(18)16-8-11-3-2-6-22-11/h4-5,7,11,17H,2-3,6,8-9H2,1H3,(H,16,18)
InChIKeyWIMYTVOXWJHMRR-UHFFFAOYSA-N
XLogP0.92
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,4-dimethoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 112991374
2-[(2-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 112991400
4-methoxy-N,N-dimethyl-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 100829062
2-[4-chloro-2-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenoxy]-N-cyclopentylacetamide
CID 27242841
5-chloro-2-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 110759337
5-tert-butyl-2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 850067
2,3-dichloro-4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 900517
2-methoxy-5-(oxolan-2-ylmethylcarbamoyl)benzenesulfonyl chloride
CID 65368575
4-chloro-N-(5-chloro-2-methoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 4780486
N-tert-butyl-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]acetamide
CID 112994958
4-chloro-2,5-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 2968373
N-[[(2R)-oxolan-2-yl]methyl]-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]acetamide
CID 1284754

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide (CID 112991399) is 2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide is COc1ccc(Cl)cc1S(=O)(=O)NCC(=O)NCC1CCCO1.
What is the InChIKey of 2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is WIMYTVOXWJHMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O5S/c1-21-12-5-4-10(15)7-13(12)23(19,20)17-9-14(18)16-8-11-3-2-6-22-11/h4-5,7,11,17H,2-3,6,8-9H2,1H3,(H,16,18).
What are the key properties of 2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide?
2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 362.84 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 112991399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).