2-chloro-5-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-N-(4-ethoxyphenyl)benzenesulfonamide

C23H26ClN3O5S — CID 43009939

IUPAC2-chloro-5-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-N-(4-ethoxyphenyl)benzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCN(C(=O)C4CC4)CC3)ccc2Cl)cc1
InChIInChI=1S/C23H26ClN3O5S/c1-2-32-19-8-6-18(7-9-19)25-33(30,31)21-15-17(5-10-20(21)24)23(29)27-13-11-26(12-14-27)22(28)16-3-4-16/h5-10,15-16,25H,2-4,11-14H2,1H3
InChIKeyYIMXQJPBXYQRHW-UHFFFAOYSA-N
MW492.00 g/mol
LogP3.23
Rot. Bonds7

About 2-chloro-5-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-N-(4-ethoxyphenyl)benzenesulfonamide

2-chloro-5-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-N-(4-ethoxyphenyl)benzenesulfonamide (PubChem CID 43009939) has the molecular formula C23H26ClN3O5S and a molecular weight of 492.00 g/mol. Its IUPAC name is 2-chloro-5-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-N-(4-ethoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-N-(4-ethoxyphenyl)benzenesulfonamide
PubChem CID43009939
Molecular FormulaC23H26ClN3O5S
Molecular Weight492.00 g/mol
Exact Mass491.13
IUPAC Name2-chloro-5-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-N-(4-ethoxyphenyl)benzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCN(C(=O)C4CC4)CC3)ccc2Cl)cc1
InChIInChI=1S/C23H26ClN3O5S/c1-2-32-19-8-6-18(7-9-19)25-33(30,31)21-15-17(5-10-20(21)24)23(29)27-13-11-26(12-14-27)22(28)16-3-4-16/h5-10,15-16,25H,2-4,11-14H2,1H3
InChIKeyYIMXQJPBXYQRHW-UHFFFAOYSA-N
XLogP3.23
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.00
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 2330006
methyl 1-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzoyl]piperidine-4-carboxylate
CID 55350196
4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 55834264
5-(benzamidocarbamoyl)-2-chloro-N-(4-ethoxyphenyl)benzenesulfonamide
CID 27555838
2-chloro-5-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-N,N-diethylbenzenesulfonamide
CID 32651732
5-(azepane-1-carbonyl)-2-chloro-N-(4-methylphenyl)benzenesulfonamide
CID 1266192
N-butan-2-yl-4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 42909894
2-[2-(4-chlorophenyl)ethylamino]-N-(4-ethoxyphenyl)-5-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 3613075
2-chloro-N-(4-fluorophenyl)-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 24539688
4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-ethoxypropyl)benzamide
CID 24540698
3-(azepane-1-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide
CID 9314938
3-(azocane-1-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide
CID 55370420

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-N-(4-ethoxyphenyl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-N-(4-ethoxyphenyl)benzenesulfonamide (CID 43009939) is 2-chloro-5-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-N-(4-ethoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-N-(4-ethoxyphenyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-N-(4-ethoxyphenyl)benzenesulfonamide is CCOc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCN(C(=O)C4CC4)CC3)ccc2Cl)cc1.
What is the InChIKey of 2-chloro-5-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-N-(4-ethoxyphenyl)benzenesulfonamide?
The InChIKey is YIMXQJPBXYQRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O5S/c1-2-32-19-8-6-18(7-9-19)25-33(30,31)21-15-17(5-10-20(21)24)23(29)27-13-11-26(12-14-27)22(28)16-3-4-16/h5-10,15-16,25H,2-4,11-14H2,1H3.
What are the key properties of 2-chloro-5-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-N-(4-ethoxyphenyl)benzenesulfonamide?
2-chloro-5-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-N-(4-ethoxyphenyl)benzenesulfonamide has a molecular weight of 492.00 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-N-(4-ethoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 43009939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).