2-chloro-N-[1-(oxolan-2-yl)ethyl]-5-sulfamoylbenzamide

C13H17ClN2O4S — CID 60966372

IUPAC2-chloro-N-[1-(oxolan-2-yl)ethyl]-5-sulfamoylbenzamide
SMILESCC(NC(=O)c1cc(S(N)(=O)=O)ccc1Cl)C1CCCO1
InChIInChI=1S/C13H17ClN2O4S/c1-8(12-3-2-6-20-12)16-13(17)10-7-9(21(15,18)19)4-5-11(10)14/h4-5,7-8,12H,2-3,6H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyKUPXVUFPMAGEKW-UHFFFAOYSA-N
MW332.81 g/mol
LogP1.28
Rot. Bonds4

About 2-chloro-N-[1-(oxolan-2-yl)ethyl]-5-sulfamoylbenzamide

2-chloro-N-[1-(oxolan-2-yl)ethyl]-5-sulfamoylbenzamide (PubChem CID 60966372) has the molecular formula C13H17ClN2O4S and a molecular weight of 332.81 g/mol. Its IUPAC name is 2-chloro-N-[1-(oxolan-2-yl)ethyl]-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(oxolan-2-yl)ethyl]-5-sulfamoylbenzamide
PubChem CID60966372
Molecular FormulaC13H17ClN2O4S
Molecular Weight332.81 g/mol
Exact Mass332.06
IUPAC Name2-chloro-N-[1-(oxolan-2-yl)ethyl]-5-sulfamoylbenzamide
SMILESCC(NC(=O)c1cc(S(N)(=O)=O)ccc1Cl)C1CCCO1
InChIInChI=1S/C13H17ClN2O4S/c1-8(12-3-2-6-20-12)16-13(17)10-7-9(21(15,18)19)4-5-11(10)14/h4-5,7-8,12H,2-3,6H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyKUPXVUFPMAGEKW-UHFFFAOYSA-N
XLogP1.28
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-chloro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 43533754
2-methoxy-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-5-sulfamoylbenzamide
CID 35230864
4-chloro-3-methylsulfonyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]benzamide
CID 35230890
3-chloro-4-iodo-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 103735000
5-chloro-2-(methanesulfonamido)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 95281365
3-[1-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride
CID 43533927
5-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-2,5-dicarboxamide
CID 98786018
3,5-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]benzamide
CID 27233431
2-amino-6-chloro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 63660237
2-bromo-N-(1-cyclobutylethyl)-5-sulfamoylbenzamide
CID 115769124
2-(3,4-dichlorophenyl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide
CID 29038254
N-[1-(oxolan-2-yl)ethyl]-4-propan-2-ylbenzamide
CID 6468560

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(oxolan-2-yl)ethyl]-5-sulfamoylbenzamide?
The IUPAC name of 2-chloro-N-[1-(oxolan-2-yl)ethyl]-5-sulfamoylbenzamide (CID 60966372) is 2-chloro-N-[1-(oxolan-2-yl)ethyl]-5-sulfamoylbenzamide.
What is the SMILES notation for 2-chloro-N-[1-(oxolan-2-yl)ethyl]-5-sulfamoylbenzamide?
The canonical SMILES for 2-chloro-N-[1-(oxolan-2-yl)ethyl]-5-sulfamoylbenzamide is CC(NC(=O)c1cc(S(N)(=O)=O)ccc1Cl)C1CCCO1.
What is the InChIKey of 2-chloro-N-[1-(oxolan-2-yl)ethyl]-5-sulfamoylbenzamide?
The InChIKey is KUPXVUFPMAGEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O4S/c1-8(12-3-2-6-20-12)16-13(17)10-7-9(21(15,18)19)4-5-11(10)14/h4-5,7-8,12H,2-3,6H2,1H3,(H,16,17)(H2,15,18,19).
What are the key properties of 2-chloro-N-[1-(oxolan-2-yl)ethyl]-5-sulfamoylbenzamide?
2-chloro-N-[1-(oxolan-2-yl)ethyl]-5-sulfamoylbenzamide has a molecular weight of 332.81 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(oxolan-2-yl)ethyl]-5-sulfamoylbenzamide is sourced from PubChem (CID 60966372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).