4-chloro-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-morpholin-4-ylsulfonylbenzamide

C25H26ClN3O7S2 — CID 126355286

IUPAC4-chloro-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N4CCOCC4)c3)cc2)cc1
InChIInChI=1S/C25H26ClN3O7S2/c1-2-36-21-8-4-20(5-9-21)28-37(31,32)22-10-6-19(7-11-22)27-25(30)18-3-12-23(26)24(17-18)38(33,34)29-13-15-35-16-14-29/h3-12,17,28H,2,13-16H2,1H3,(H,27,30)
InChIKeyPRRBSKDZRVGJSK-UHFFFAOYSA-N
MW580.08 g/mol
LogP3.81
Rot. Bonds9

About 4-chloro-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-morpholin-4-ylsulfonylbenzamide

4-chloro-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 126355286) has the molecular formula C25H26ClN3O7S2 and a molecular weight of 580.08 g/mol. Its IUPAC name is 4-chloro-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-morpholin-4-ylsulfonylbenzamide
PubChem CID126355286
Molecular FormulaC25H26ClN3O7S2
Molecular Weight580.08 g/mol
Exact Mass579.09
IUPAC Name4-chloro-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N4CCOCC4)c3)cc2)cc1
InChIInChI=1S/C25H26ClN3O7S2/c1-2-36-21-8-4-20(5-9-21)28-37(31,32)22-10-6-19(7-11-22)27-25(30)18-3-12-23(26)24(17-18)38(33,34)29-13-15-35-16-14-29/h3-12,17,28H,2,13-16H2,1H3,(H,27,30)
InChIKeyPRRBSKDZRVGJSK-UHFFFAOYSA-N
XLogP3.81
TPSA131.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500580.08
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 126415208
4-chloro-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 126336444
4-chloro-N-[4-(difluoromethoxy)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 26894892
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-pentoxybenzamide
CID 55343091
N-(4-butylphenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide
CID 26639213
4-chloro-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-nitrobenzamide
CID 3381194
4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 24539573
N-(4-ethoxyphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 19059851
4-chloro-N-(4-methylsulfanylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 26725964
3-chloro-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43909558
4-chloro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26412442
4-(2-ethoxyethoxy)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 17112612

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 4-chloro-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-morpholin-4-ylsulfonylbenzamide (CID 126355286) is 4-chloro-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-morpholin-4-ylsulfonylbenzamide is CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N4CCOCC4)c3)cc2)cc1.
What is the InChIKey of 4-chloro-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is PRRBSKDZRVGJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O7S2/c1-2-36-21-8-4-20(5-9-21)28-37(31,32)22-10-6-19(7-11-22)27-25(30)18-3-12-23(26)24(17-18)38(33,34)29-13-15-35-16-14-29/h3-12,17,28H,2,13-16H2,1H3,(H,27,30).
What are the key properties of 4-chloro-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-morpholin-4-ylsulfonylbenzamide?
4-chloro-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 580.08 g/mol, XLogP of 3.81, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 126355286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).