N-(5-chloro-2,4-dimethoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide

C20H23ClN2O6S — CID 24644972

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCOc1cc(OC)c(NC(=O)c2cccc(S(=O)(=O)NCC3CCCO3)c2)cc1Cl
InChIInChI=1S/C20H23ClN2O6S/c1-27-18-11-19(28-2)17(10-16(18)21)23-20(24)13-5-3-7-15(9-13)30(25,26)22-12-14-6-4-8-29-14/h3,5,7,9-11,14,22H,4,6,8,12H2,1-2H3,(H,23,24)
InChIKeyNRUZFHYYCQHAIG-UHFFFAOYSA-N
MW454.93 g/mol
LogP3.07
Rot. Bonds8

About N-(5-chloro-2,4-dimethoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide

N-(5-chloro-2,4-dimethoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide (PubChem CID 24644972) has the molecular formula C20H23ClN2O6S and a molecular weight of 454.93 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
PubChem CID24644972
Molecular FormulaC20H23ClN2O6S
Molecular Weight454.93 g/mol
Exact Mass454.10
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCOc1cc(OC)c(NC(=O)c2cccc(S(=O)(=O)NCC3CCCO3)c2)cc1Cl
InChIInChI=1S/C20H23ClN2O6S/c1-27-18-11-19(28-2)17(10-16(18)21)23-20(24)13-5-3-7-15(9-13)30(25,26)22-12-14-6-4-8-29-14/h3,5,7,9-11,14,22H,4,6,8,12H2,1-2H3,(H,23,24)
InChIKeyNRUZFHYYCQHAIG-UHFFFAOYSA-N
XLogP3.07
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.93
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 43001593
N-(5-chloro-2-methoxyphenyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 3193347
N-(4-ethoxy-3-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 30545290
N-(3-chlorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063911
N-(4-acetamidophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24539464
N-[2-methoxy-5-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]acetamide
CID 42066685
4-chloro-N-(5-chloro-2-methoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 4780486
N-[3-[(2-methoxyacetyl)amino]phenyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 43057770
N-tert-butyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063903
N-(4-cyanophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063915
3-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-(2-piperidin-1-ylphenyl)benzamide
CID 40847436
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 46581552

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide (CID 24644972) is N-(5-chloro-2,4-dimethoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide is COc1cc(OC)c(NC(=O)c2cccc(S(=O)(=O)NCC3CCCO3)c2)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is NRUZFHYYCQHAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O6S/c1-27-18-11-19(28-2)17(10-16(18)21)23-20(24)13-5-3-7-15(9-13)30(25,26)22-12-14-6-4-8-29-14/h3,5,7,9-11,14,22H,4,6,8,12H2,1-2H3,(H,23,24).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
N-(5-chloro-2,4-dimethoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 454.93 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 24644972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).