4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide

C23H30ClN3O4S — CID 55834264

IUPAC4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(C(=O)NCC(C)CN3CCCC3)ccc2Cl)cc1
InChIInChI=1S/C23H30ClN3O4S/c1-3-31-20-9-7-19(8-10-20)26-32(29,30)22-14-18(6-11-21(22)24)23(28)25-15-17(2)16-27-12-4-5-13-27/h6-11,14,17,26H,3-5,12-13,15-16H2,1-2H3,(H,25,28)
InChIKeyPCBCUKRBNXBZGL-UHFFFAOYSA-N
MW480.03 g/mol
LogP4.00
Rot. Bonds10

About 4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide

4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide (PubChem CID 55834264) has the molecular formula C23H30ClN3O4S and a molecular weight of 480.03 g/mol. Its IUPAC name is 4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
PubChem CID55834264
Molecular FormulaC23H30ClN3O4S
Molecular Weight480.03 g/mol
Exact Mass479.16
IUPAC Name4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(C(=O)NCC(C)CN3CCCC3)ccc2Cl)cc1
InChIInChI=1S/C23H30ClN3O4S/c1-3-31-20-9-7-19(8-10-20)26-32(29,30)22-14-18(6-11-21(22)24)23(28)25-15-17(2)16-27-12-4-5-13-27/h6-11,14,17,26H,3-5,12-13,15-16H2,1-2H3,(H,25,28)
InChIKeyPCBCUKRBNXBZGL-UHFFFAOYSA-N
XLogP4.00
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.03
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 42909894
2-chloro-5-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-N-(4-ethoxyphenyl)benzenesulfonamide
CID 43009939
4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-ethoxypropyl)benzamide
CID 24540698
4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 55932771
5-(benzamidocarbamoyl)-2-chloro-N-(4-ethoxyphenyl)benzenesulfonamide
CID 27555838
4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 55879882
4-chloro-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide
CID 30390620
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 126415208
3-bromo-4-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 107999448
4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 24539573
2-(4-ethoxyphenyl)-N-(2-methyl-3-piperidin-1-ylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 55983161
4-chloro-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 126355286

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide?
The IUPAC name of 4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide (CID 55834264) is 4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide.
What is the SMILES notation for 4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide?
The canonical SMILES for 4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide is CCOc1ccc(NS(=O)(=O)c2cc(C(=O)NCC(C)CN3CCCC3)ccc2Cl)cc1.
What is the InChIKey of 4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide?
The InChIKey is PCBCUKRBNXBZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O4S/c1-3-31-20-9-7-19(8-10-20)26-32(29,30)22-14-18(6-11-21(22)24)23(28)25-15-17(2)16-27-12-4-5-13-27/h6-11,14,17,26H,3-5,12-13,15-16H2,1-2H3,(H,25,28).
What are the key properties of 4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide?
4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide has a molecular weight of 480.03 g/mol, XLogP of 4.00, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide is sourced from PubChem (CID 55834264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).