4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-(oxolan-3-ylmethyl)benzamide

C19H21ClN2O5S — CID 55659385

IUPAC4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-(oxolan-3-ylmethyl)benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(C(=O)NCC2CCOC2)ccc1Cl
InChIInChI=1S/C19H21ClN2O5S/c1-26-17-5-3-2-4-16(17)22-28(24,25)18-10-14(6-7-15(18)20)19(23)21-11-13-8-9-27-12-13/h2-7,10,13,22H,8-9,11-12H2,1H3,(H,21,23)
InChIKeySYTRLFJYBQHMLM-UHFFFAOYSA-N
MW424.91 g/mol
LogP2.92
Rot. Bonds7

About 4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-(oxolan-3-ylmethyl)benzamide

4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-(oxolan-3-ylmethyl)benzamide (PubChem CID 55659385) has the molecular formula C19H21ClN2O5S and a molecular weight of 424.91 g/mol. Its IUPAC name is 4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-(oxolan-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-(oxolan-3-ylmethyl)benzamide
PubChem CID55659385
Molecular FormulaC19H21ClN2O5S
Molecular Weight424.91 g/mol
Exact Mass424.09
IUPAC Name4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-(oxolan-3-ylmethyl)benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(C(=O)NCC2CCOC2)ccc1Cl
InChIInChI=1S/C19H21ClN2O5S/c1-26-17-5-3-2-4-16(17)22-28(24,25)18-10-14(6-7-15(18)20)19(23)21-11-13-8-9-27-12-13/h2-7,10,13,22H,8-9,11-12H2,1H3,(H,21,23)
InChIKeySYTRLFJYBQHMLM-UHFFFAOYSA-N
XLogP2.92
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.91
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(oxolan-3-ylmethyl)-3-sulfamoylbenzamide
CID 65388082
4-chloro-N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 46525468
4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 37064210
4-chloro-N-(furan-2-ylmethyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 46422535
4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 46525069
methyl 6-[[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]hexanoate
CID 31840810
4-chloro-N-[3-(diethylamino)propyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide chloride
CID 53314731
N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 96517593
4-chloro-N-(3-chloro-2-methylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26589777
4-chloro-N-(2,4-dimethylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538705
2-ethyl-5-(oxolan-3-ylmethylcarbamoyl)benzenesulfonyl chloride
CID 65396832
4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 25352878

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-(oxolan-3-ylmethyl)benzamide?
The IUPAC name of 4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-(oxolan-3-ylmethyl)benzamide (CID 55659385) is 4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-(oxolan-3-ylmethyl)benzamide.
What is the SMILES notation for 4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-(oxolan-3-ylmethyl)benzamide?
The canonical SMILES for 4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-(oxolan-3-ylmethyl)benzamide is COc1ccccc1NS(=O)(=O)c1cc(C(=O)NCC2CCOC2)ccc1Cl.
What is the InChIKey of 4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-(oxolan-3-ylmethyl)benzamide?
The InChIKey is SYTRLFJYBQHMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O5S/c1-26-17-5-3-2-4-16(17)22-28(24,25)18-10-14(6-7-15(18)20)19(23)21-11-13-8-9-27-12-13/h2-7,10,13,22H,8-9,11-12H2,1H3,(H,21,23).
What are the key properties of 4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-(oxolan-3-ylmethyl)benzamide?
4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-(oxolan-3-ylmethyl)benzamide has a molecular weight of 424.91 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-(oxolan-3-ylmethyl)benzamide is sourced from PubChem (CID 55659385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).