N-[3-(butylsulfamoyl)phenyl]-3-(ethylsulfonylamino)benzamide

C19H25N3O5S2 — CID 24672448

IUPACN-[3-(butylsulfamoyl)phenyl]-3-(ethylsulfonylamino)benzamide
SMILESCCCCNS(=O)(=O)c1cccc(NC(=O)c2cccc(NS(=O)(=O)CC)c2)c1
InChIInChI=1S/C19H25N3O5S2/c1-3-5-12-20-29(26,27)18-11-7-9-16(14-18)21-19(23)15-8-6-10-17(13-15)22-28(24,25)4-2/h6-11,13-14,20,22H,3-5,12H2,1-2H3,(H,21,23)
InChIKeyXQSBLGUWMPKGHT-UHFFFAOYSA-N
MW439.56 g/mol
LogP2.78
Rot. Bonds10

About N-[3-(butylsulfamoyl)phenyl]-3-(ethylsulfonylamino)benzamide

N-[3-(butylsulfamoyl)phenyl]-3-(ethylsulfonylamino)benzamide (PubChem CID 24672448) has the molecular formula C19H25N3O5S2 and a molecular weight of 439.56 g/mol. Its IUPAC name is N-[3-(butylsulfamoyl)phenyl]-3-(ethylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[3-(butylsulfamoyl)phenyl]-3-(ethylsulfonylamino)benzamide
PubChem CID24672448
Molecular FormulaC19H25N3O5S2
Molecular Weight439.56 g/mol
Exact Mass439.12
IUPAC NameN-[3-(butylsulfamoyl)phenyl]-3-(ethylsulfonylamino)benzamide
SMILESCCCCNS(=O)(=O)c1cccc(NC(=O)c2cccc(NS(=O)(=O)CC)c2)c1
InChIInChI=1S/C19H25N3O5S2/c1-3-5-12-20-29(26,27)18-11-7-9-16(14-18)21-19(23)15-8-6-10-17(13-15)22-28(24,25)4-2/h6-11,13-14,20,22H,3-5,12H2,1-2H3,(H,21,23)
InChIKeyXQSBLGUWMPKGHT-UHFFFAOYSA-N
XLogP2.78
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(butylsulfamoyl)phenyl]-4-ethoxy-3-methoxybenzamide
CID 26698637
methyl 3-[[3-(propylsulfamoyl)benzoyl]amino]benzoate
CID 109061963
N-(3-chloro-4-methylphenyl)-3-(pentylsulfamoyl)benzamide
CID 109065382
N-[3-(butylsulfamoyl)phenyl]-3-chloro-4,5-dimethoxybenzamide
CID 27992662
3-(butylsulfamoyl)-N-(3-chloro-4-cyanophenyl)benzamide
CID 17226748
4-(butylsulfamoyl)-N-(3-chlorophenyl)benzamide
CID 109058758
N-(3-chloro-4-methylphenyl)-3-(ethylsulfonylamino)benzamide
CID 36805136
3-(butylsulfamoyl)-N-(4-chloro-3-nitrophenyl)benzamide
CID 17226614
3-(butylsulfamoyl)-N-(2,5-dimethylphenyl)benzamide
CID 17226677
N-(2-bromophenyl)-3-(butylsulfamoyl)benzamide
CID 17226776
4-(2-amino-2-oxoethoxy)-N-[3-(butylsulfamoyl)phenyl]-3,5-dimethoxybenzamide
CID 24512899
N-[3-(butylsulfamoyl)phenyl]isoquinoline-1-carboxamide
CID 47084317

Frequently Asked Questions

What is the IUPAC name of N-[3-(butylsulfamoyl)phenyl]-3-(ethylsulfonylamino)benzamide?
The IUPAC name of N-[3-(butylsulfamoyl)phenyl]-3-(ethylsulfonylamino)benzamide (CID 24672448) is N-[3-(butylsulfamoyl)phenyl]-3-(ethylsulfonylamino)benzamide.
What is the SMILES notation for N-[3-(butylsulfamoyl)phenyl]-3-(ethylsulfonylamino)benzamide?
The canonical SMILES for N-[3-(butylsulfamoyl)phenyl]-3-(ethylsulfonylamino)benzamide is CCCCNS(=O)(=O)c1cccc(NC(=O)c2cccc(NS(=O)(=O)CC)c2)c1.
What is the InChIKey of N-[3-(butylsulfamoyl)phenyl]-3-(ethylsulfonylamino)benzamide?
The InChIKey is XQSBLGUWMPKGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5S2/c1-3-5-12-20-29(26,27)18-11-7-9-16(14-18)21-19(23)15-8-6-10-17(13-15)22-28(24,25)4-2/h6-11,13-14,20,22H,3-5,12H2,1-2H3,(H,21,23).
What are the key properties of N-[3-(butylsulfamoyl)phenyl]-3-(ethylsulfonylamino)benzamide?
N-[3-(butylsulfamoyl)phenyl]-3-(ethylsulfonylamino)benzamide has a molecular weight of 439.56 g/mol, XLogP of 2.78, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butylsulfamoyl)phenyl]-3-(ethylsulfonylamino)benzamide is sourced from PubChem (CID 24672448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).