3-(benzenesulfonamido)-N-[4-(cyclohexylsulfamoyl)phenyl]propanamide

C21H27N3O5S2 — CID 17225977

IUPAC3-(benzenesulfonamido)-N-[4-(cyclohexylsulfamoyl)phenyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1
InChIInChI=1S/C21H27N3O5S2/c25-21(15-16-22-30(26,27)19-9-5-2-6-10-19)23-17-11-13-20(14-12-17)31(28,29)24-18-7-3-1-4-8-18/h2,5-6,9-14,18,22,24H,1,3-4,7-8,15-16H2,(H,23,25)
InChIKeyWEMDVPVQZWGPIY-UHFFFAOYSA-N
MW465.60 g/mol
LogP2.60
Rot. Bonds9

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

3-(benzenesulfonamido)-N-[4-(cyclohexylsulfamoyl)phenyl]propanamide (PubChem CID 17225977) has the molecular formula C21H27N3O5S2 and a molecular weight of 465.60 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-[4-(cyclohexylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-[4-(cyclohexylsulfamoyl)phenyl]propanamide
PubChem CID17225977
Molecular FormulaC21H27N3O5S2
Molecular Weight465.60 g/mol
Exact Mass465.14
IUPAC Name3-(benzenesulfonamido)-N-[4-(cyclohexylsulfamoyl)phenyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1
InChIInChI=1S/C21H27N3O5S2/c25-21(15-16-22-30(26,27)19-9-5-2-6-10-19)23-17-11-13-20(14-12-17)31(28,29)24-18-7-3-1-4-8-18/h2,5-6,9-14,18,22,24H,1,3-4,7-8,15-16H2,(H,23,25)
InChIKeyWEMDVPVQZWGPIY-UHFFFAOYSA-N
XLogP2.60
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(cyclohexylsulfamoyl)phenyl]-2-phenylacetamide
CID 4627278
N,N'-bis[4-(cyclohexylsulfamoyl)phenyl]nonanediamide
CID 4629962
3-(benzenesulfonamido)-N-cyclohexylpropanamide
CID 17225810
N-[4-(cyclohexylsulfamoyl)phenyl]-2-(2-methylphenyl)acetamide
CID 17109452
N-[4-(cyclohexylsulfamoyl)phenyl]-2-(4-phenylphenoxy)acetamide
CID 4511876
4-N-cyclohexyl-1-N-(2-phenylethyl)benzene-1,4-disulfonamide
CID 1429121
N-[3-[4-(cyclohexylsulfamoyl)anilino]-3-oxopropyl]-3-methylbenzamide
CID 17191539
3-[4-(cyclohexylsulfamoyl)phenyl]-N-(4-fluorophenyl)propanamide
CID 126248632
N-[4-(cyclohexylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 108807070
2-chloro-N-[4-(cyclopropylsulfamoyl)phenyl]acetamide
CID 43244647
N-[4-(cyclohexylsulfamoyl)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 4627504
3-(benzenesulfonamido)-N-[4-(diethylsulfamoyl)phenyl]propanamide
CID 17225945

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-[4-(cyclohexylsulfamoyl)phenyl]propanamide?
The IUPAC name of 3-(benzenesulfonamido)-N-[4-(cyclohexylsulfamoyl)phenyl]propanamide (CID 17225977) is 3-(benzenesulfonamido)-N-[4-(cyclohexylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-[4-(cyclohexylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-[4-(cyclohexylsulfamoyl)phenyl]propanamide is O=C(CCNS(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1.
What is the InChIKey of 3-(benzenesulfonamido)-N-[4-(cyclohexylsulfamoyl)phenyl]propanamide?
The InChIKey is WEMDVPVQZWGPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O5S2/c25-21(15-16-22-30(26,27)19-9-5-2-6-10-19)23-17-11-13-20(14-12-17)31(28,29)24-18-7-3-1-4-8-18/h2,5-6,9-14,18,22,24H,1,3-4,7-8,15-16H2,(H,23,25).
What are the key properties of 3-(benzenesulfonamido)-N-[4-(cyclohexylsulfamoyl)phenyl]propanamide?
3-(benzenesulfonamido)-N-[4-(cyclohexylsulfamoyl)phenyl]propanamide has a molecular weight of 465.60 g/mol, XLogP of 2.60, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-[4-(cyclohexylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 17225977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).