N-(5-chloro-2-methoxyphenyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide

C19H21ClN2O5S — CID 3193347

IUPACN-(5-chloro-2-methoxyphenyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C19H21ClN2O5S/c1-26-18-9-6-14(20)11-17(18)22-19(23)13-4-7-16(8-5-13)28(24,25)21-12-15-3-2-10-27-15/h4-9,11,15,21H,2-3,10,12H2,1H3,(H,22,23)
InChIKeyMVIYDBZQTDEDLO-UHFFFAOYSA-N
MW424.91 g/mol
LogP3.06
Rot. Bonds7

About N-(5-chloro-2-methoxyphenyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide

N-(5-chloro-2-methoxyphenyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide (PubChem CID 3193347) has the molecular formula C19H21ClN2O5S and a molecular weight of 424.91 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
PubChem CID3193347
Molecular FormulaC19H21ClN2O5S
Molecular Weight424.91 g/mol
Exact Mass424.09
IUPAC NameN-(5-chloro-2-methoxyphenyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C19H21ClN2O5S/c1-26-18-9-6-14(20)11-17(18)22-19(23)13-4-7-16(8-5-13)28(24,25)21-12-15-3-2-10-27-15/h4-9,11,15,21H,2-3,10,12H2,1H3,(H,22,23)
InChIKeyMVIYDBZQTDEDLO-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(5-chloro-2-methoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 4780486
N-[2-methoxy-5-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]acetamide
CID 42066685
N-(5-chloro-2,4-dimethoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24644972
N-(2-chlorophenyl)-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 1428408
N-(2,4-dimethylphenyl)-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 1428381
3-[[4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoyl]amino]-4-methoxy-N,N-dimethylbenzamide
CID 55983444
N-(2,3-dichlorophenyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 25490032
4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 767831
3-iodo-4-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1248695
N-(2-ethylphenyl)-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 1428385
N-(2,6-dimethylphenyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109060029
methyl 2-hydroxy-3-[[4-(oxolan-2-ylmethylsulfamoyl)benzoyl]amino]benzoate
CID 56543442

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide (CID 3193347) is N-(5-chloro-2-methoxyphenyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide is COc1ccc(Cl)cc1NC(=O)c1ccc(S(=O)(=O)NCC2CCCO2)cc1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is MVIYDBZQTDEDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O5S/c1-26-18-9-6-14(20)11-17(18)22-19(23)13-4-7-16(8-5-13)28(24,25)21-12-15-3-2-10-27-15/h4-9,11,15,21H,2-3,10,12H2,1H3,(H,22,23).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
N-(5-chloro-2-methoxyphenyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 424.91 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 3193347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).