3-chloro-N-[5-(diethylsulfamoyl)-3-ethyl-2-methoxyphenyl]-4-hydroxy-5-methylbenzamide

C21H27ClN2O5S — CID 142080358

IUPAC3-chloro-N-[5-(diethylsulfamoyl)-3-ethyl-2-methoxyphenyl]-4-hydroxy-5-methylbenzamide
SMILESCCc1cc(S(=O)(=O)N(CC)CC)cc(NC(=O)c2cc(C)c(O)c(Cl)c2)c1OC
InChIInChI=1S/C21H27ClN2O5S/c1-6-14-10-16(30(27,28)24(7-2)8-3)12-18(20(14)29-5)23-21(26)15-9-13(4)19(25)17(22)11-15/h9-12,25H,6-8H2,1-5H3,(H,23,26)
InChIKeyCTHPBONURHOJBB-UHFFFAOYSA-N
MW454.98 g/mol
LogP4.21
Rot. Bonds8

About 3-chloro-N-[5-(diethylsulfamoyl)-3-ethyl-2-methoxyphenyl]-4-hydroxy-5-methylbenzamide

3-chloro-N-[5-(diethylsulfamoyl)-3-ethyl-2-methoxyphenyl]-4-hydroxy-5-methylbenzamide (PubChem CID 142080358) has the molecular formula C21H27ClN2O5S and a molecular weight of 454.98 g/mol. Its IUPAC name is 3-chloro-N-[5-(diethylsulfamoyl)-3-ethyl-2-methoxyphenyl]-4-hydroxy-5-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-[5-(diethylsulfamoyl)-3-ethyl-2-methoxyphenyl]-4-hydroxy-5-methylbenzamide
PubChem CID142080358
Molecular FormulaC21H27ClN2O5S
Molecular Weight454.98 g/mol
Exact Mass454.13
IUPAC Name3-chloro-N-[5-(diethylsulfamoyl)-3-ethyl-2-methoxyphenyl]-4-hydroxy-5-methylbenzamide
SMILESCCc1cc(S(=O)(=O)N(CC)CC)cc(NC(=O)c2cc(C)c(O)c(Cl)c2)c1OC
InChIInChI=1S/C21H27ClN2O5S/c1-6-14-10-16(30(27,28)24(7-2)8-3)12-18(20(14)29-5)23-21(26)15-9-13(4)19(25)17(22)11-15/h9-12,25H,6-8H2,1-5H3,(H,23,26)
InChIKeyCTHPBONURHOJBB-UHFFFAOYSA-N
XLogP4.21
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.98
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[3-cyano-5-(diethylsulfamoyl)-2-methoxyphenyl]-4-hydroxy-5-nitrobenzamide
CID 139918904
3-chloro-N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-4,5-dimethoxybenzamide
CID 4878392
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3,4,5-trimethoxybenzamide
CID 2913924
3-chloro-N-[3-(diethylsulfamoyl)phenyl]-4,5-dimethoxybenzamide
CID 26252009
3,5-dichloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-methoxybenzamide
CID 35978682
3-(diethylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 4003550
N-[2-chloro-5-(diethylsulfamoyl)phenyl]pyridine-4-carboxamide
CID 2963512
3-chloro-N-[4-(diethylsulfamoyl)phenyl]-4-methoxybenzamide
CID 100560021
methyl 3-[[4-(diethylsulfamoyl)benzoyl]amino]-4-methylbenzoate
CID 2673338
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-iodobenzamide
CID 26901201
6-chloro-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]pyridine-3-carboxamide
CID 8011851
N-[4-(diethylsulfamoyl)phenyl]-4-methoxy-3-methylbenzamide
CID 100701493

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-(diethylsulfamoyl)-3-ethyl-2-methoxyphenyl]-4-hydroxy-5-methylbenzamide?
The IUPAC name of 3-chloro-N-[5-(diethylsulfamoyl)-3-ethyl-2-methoxyphenyl]-4-hydroxy-5-methylbenzamide (CID 142080358) is 3-chloro-N-[5-(diethylsulfamoyl)-3-ethyl-2-methoxyphenyl]-4-hydroxy-5-methylbenzamide.
What is the SMILES notation for 3-chloro-N-[5-(diethylsulfamoyl)-3-ethyl-2-methoxyphenyl]-4-hydroxy-5-methylbenzamide?
The canonical SMILES for 3-chloro-N-[5-(diethylsulfamoyl)-3-ethyl-2-methoxyphenyl]-4-hydroxy-5-methylbenzamide is CCc1cc(S(=O)(=O)N(CC)CC)cc(NC(=O)c2cc(C)c(O)c(Cl)c2)c1OC.
What is the InChIKey of 3-chloro-N-[5-(diethylsulfamoyl)-3-ethyl-2-methoxyphenyl]-4-hydroxy-5-methylbenzamide?
The InChIKey is CTHPBONURHOJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O5S/c1-6-14-10-16(30(27,28)24(7-2)8-3)12-18(20(14)29-5)23-21(26)15-9-13(4)19(25)17(22)11-15/h9-12,25H,6-8H2,1-5H3,(H,23,26).
What are the key properties of 3-chloro-N-[5-(diethylsulfamoyl)-3-ethyl-2-methoxyphenyl]-4-hydroxy-5-methylbenzamide?
3-chloro-N-[5-(diethylsulfamoyl)-3-ethyl-2-methoxyphenyl]-4-hydroxy-5-methylbenzamide has a molecular weight of 454.98 g/mol, XLogP of 4.21, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[5-(diethylsulfamoyl)-3-ethyl-2-methoxyphenyl]-4-hydroxy-5-methylbenzamide is sourced from PubChem (CID 142080358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).