6-[(4-bromophenyl)sulfonylamino]-N-[(3,4-dichlorophenyl)methyl]hexanamide

C19H21BrCl2N2O3S — CID 4178509

IUPAC6-[(4-bromophenyl)sulfonylamino]-N-[(3,4-dichlorophenyl)methyl]hexanamide
SMILESO=C(CCCCCNS(=O)(=O)c1ccc(Br)cc1)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H21BrCl2N2O3S/c20-15-6-8-16(9-7-15)28(26,27)24-11-3-1-2-4-19(25)23-13-14-5-10-17(21)18(22)12-14/h5-10,12,24H,1-4,11,13H2,(H,23,25)
InChIKeyNDTOOLCBJQKGBS-UHFFFAOYSA-N
MW508.27 g/mol
LogP4.91
Rot. Bonds10

About 6-[(4-bromophenyl)sulfonylamino]-N-[(3,4-dichlorophenyl)methyl]hexanamide

6-[(4-bromophenyl)sulfonylamino]-N-[(3,4-dichlorophenyl)methyl]hexanamide (PubChem CID 4178509) has the molecular formula C19H21BrCl2N2O3S and a molecular weight of 508.27 g/mol. Its IUPAC name is 6-[(4-bromophenyl)sulfonylamino]-N-[(3,4-dichlorophenyl)methyl]hexanamide.

Molecular Properties

Compound Name6-[(4-bromophenyl)sulfonylamino]-N-[(3,4-dichlorophenyl)methyl]hexanamide
PubChem CID4178509
Molecular FormulaC19H21BrCl2N2O3S
Molecular Weight508.27 g/mol
Exact Mass505.98
IUPAC Name6-[(4-bromophenyl)sulfonylamino]-N-[(3,4-dichlorophenyl)methyl]hexanamide
SMILESO=C(CCCCCNS(=O)(=O)c1ccc(Br)cc1)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H21BrCl2N2O3S/c20-15-6-8-16(9-7-15)28(26,27)24-11-3-1-2-4-19(25)23-13-14-5-10-17(21)18(22)12-14/h5-10,12,24H,1-4,11,13H2,(H,23,25)
InChIKeyNDTOOLCBJQKGBS-UHFFFAOYSA-N
XLogP4.91
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.27
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-bromophenyl)sulfonylamino]-N-[(3,4-dichlorophenyl)methyl]hexanamide?
The IUPAC name of 6-[(4-bromophenyl)sulfonylamino]-N-[(3,4-dichlorophenyl)methyl]hexanamide (CID 4178509) is 6-[(4-bromophenyl)sulfonylamino]-N-[(3,4-dichlorophenyl)methyl]hexanamide.
What is the SMILES notation for 6-[(4-bromophenyl)sulfonylamino]-N-[(3,4-dichlorophenyl)methyl]hexanamide?
The canonical SMILES for 6-[(4-bromophenyl)sulfonylamino]-N-[(3,4-dichlorophenyl)methyl]hexanamide is O=C(CCCCCNS(=O)(=O)c1ccc(Br)cc1)NCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 6-[(4-bromophenyl)sulfonylamino]-N-[(3,4-dichlorophenyl)methyl]hexanamide?
The InChIKey is NDTOOLCBJQKGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrCl2N2O3S/c20-15-6-8-16(9-7-15)28(26,27)24-11-3-1-2-4-19(25)23-13-14-5-10-17(21)18(22)12-14/h5-10,12,24H,1-4,11,13H2,(H,23,25).
What are the key properties of 6-[(4-bromophenyl)sulfonylamino]-N-[(3,4-dichlorophenyl)methyl]hexanamide?
6-[(4-bromophenyl)sulfonylamino]-N-[(3,4-dichlorophenyl)methyl]hexanamide has a molecular weight of 508.27 g/mol, XLogP of 4.91, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-bromophenyl)sulfonylamino]-N-[(3,4-dichlorophenyl)methyl]hexanamide is sourced from PubChem (CID 4178509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).