3-(benzenesulfonamido)-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]propanamide

C21H20ClN3O5S2 — CID 55347189

IUPAC3-(benzenesulfonamido)-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1)Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C21H20ClN3O5S2/c22-16-9-11-17(12-10-16)25-32(29,30)20-8-4-5-18(15-20)24-21(26)13-14-23-31(27,28)19-6-2-1-3-7-19/h1-12,15,23,25H,13-14H2,(H,24,26)
InChIKeyLMSGJTOIPRNHLI-UHFFFAOYSA-N
MW493.99 g/mol
LogP3.45
Rot. Bonds9

About 3-(benzenesulfonamido)-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]propanamide

3-(benzenesulfonamido)-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]propanamide (PubChem CID 55347189) has the molecular formula C21H20ClN3O5S2 and a molecular weight of 493.99 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]propanamide
PubChem CID55347189
Molecular FormulaC21H20ClN3O5S2
Molecular Weight493.99 g/mol
Exact Mass493.05
IUPAC Name3-(benzenesulfonamido)-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1)Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C21H20ClN3O5S2/c22-16-9-11-17(12-10-16)25-32(29,30)20-8-4-5-18(15-20)24-21(26)13-14-23-31(27,28)19-6-2-1-3-7-19/h1-12,15,23,25H,13-14H2,(H,24,26)
InChIKeyLMSGJTOIPRNHLI-UHFFFAOYSA-N
XLogP3.45
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.99
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-phenoxyacetamide
CID 26592931
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CID 9412312
3-[(4-chlorophenyl)sulfonylamino]-N-(3-propan-2-ylphenyl)propanamide
CID 9246818
2-(4-chlorophenyl)-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 4936631
N-(3-chlorophenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 26578624
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CID 26636174
3-(benzenesulfonamido)-N-(4-chloro-2-methylphenyl)propanamide
CID 26687749
3-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)propanamide
CID 32728448
N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 35742588
4-(4-chlorophenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-oxobutanamide
CID 3595670
[2-(4-chloroanilino)-2-oxoethyl] 3-(benzenesulfonamido)propanoate
CID 8574931
3-[(4-chlorophenyl)sulfonylamino]-N-[4-(propylsulfamoyl)phenyl]propanamide
CID 17225792

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]propanamide?
The IUPAC name of 3-(benzenesulfonamido)-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]propanamide (CID 55347189) is 3-(benzenesulfonamido)-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]propanamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]propanamide is O=C(CCNS(=O)(=O)c1ccccc1)Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-(benzenesulfonamido)-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]propanamide?
The InChIKey is LMSGJTOIPRNHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O5S2/c22-16-9-11-17(12-10-16)25-32(29,30)20-8-4-5-18(15-20)24-21(26)13-14-23-31(27,28)19-6-2-1-3-7-19/h1-12,15,23,25H,13-14H2,(H,24,26).
What are the key properties of 3-(benzenesulfonamido)-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]propanamide?
3-(benzenesulfonamido)-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]propanamide has a molecular weight of 493.99 g/mol, XLogP of 3.45, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 55347189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).