3-[benzyl-(4-bromo-2,6-dichlorophenyl)sulfonylamino]propanamide

C16H15BrCl2N2O3S — CID 24555937

IUPAC3-[benzyl-(4-bromo-2,6-dichlorophenyl)sulfonylamino]propanamide
SMILESNC(=O)CCN(Cc1ccccc1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C16H15BrCl2N2O3S/c17-12-8-13(18)16(14(19)9-12)25(23,24)21(7-6-15(20)22)10-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2,(H2,20,22)
InChIKeyLZLQWGNBWMCBOR-UHFFFAOYSA-N
MW466.18 g/mol
LogP3.82
Rot. Bonds7

About 3-[benzyl-(4-bromo-2,6-dichlorophenyl)sulfonylamino]propanamide

3-[benzyl-(4-bromo-2,6-dichlorophenyl)sulfonylamino]propanamide (PubChem CID 24555937) has the molecular formula C16H15BrCl2N2O3S and a molecular weight of 466.18 g/mol. Its IUPAC name is 3-[benzyl-(4-bromo-2,6-dichlorophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name3-[benzyl-(4-bromo-2,6-dichlorophenyl)sulfonylamino]propanamide
PubChem CID24555937
Molecular FormulaC16H15BrCl2N2O3S
Molecular Weight466.18 g/mol
Exact Mass463.94
IUPAC Name3-[benzyl-(4-bromo-2,6-dichlorophenyl)sulfonylamino]propanamide
SMILESNC(=O)CCN(Cc1ccccc1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C16H15BrCl2N2O3S/c17-12-8-13(18)16(14(19)9-12)25(23,24)21(7-6-15(20)22)10-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2,(H2,20,22)
InChIKeyLZLQWGNBWMCBOR-UHFFFAOYSA-N
XLogP3.82
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.18
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[benzyl-(4-bromo-2,6-dichlorophenyl)sulfonylamino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[benzyl-(4-bromophenyl)sulfonylamino]propanoic acid
CID 45472537
4-bromo-2,6-dichloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 61217623
4-bromo-2,6-dichloro-N,N-dipropylbenzenesulfonamide
CID 60639771
3-[benzyl-[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 24555949
3-[benzyl-(4-chlorophenyl)sulfonylamino]propanoic acid
CID 45472536
(2,3-dibromophenyl)methyl 3-[benzyl-(2-chlorophenyl)sulfonylamino]propanoate
CID 166345535
3-[(3-acetamido-4-methoxyphenyl)sulfonyl-benzylamino]propanamide
CID 24555959
N-(3-amino-3-oxopropyl)-N-benzyl-2-chlorobenzamide
CID 28642307
N-(3-aminopropyl)-N-benzyl-2,6-difluorobenzenesulfonamide
CID 120664086
4-bromo-2,6-dichloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylbenzenesulfonamide
CID 60594986
N-benzyl-2-chloro-N-propylbenzenesulfonamide
CID 134017133
4-bromo-2,6-dichloro-N-ethyl-N-phenylbenzenesulfonamide
CID 60639715

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl-(4-bromo-2,6-dichlorophenyl)sulfonylamino]propanamide?
The IUPAC name of 3-[benzyl-(4-bromo-2,6-dichlorophenyl)sulfonylamino]propanamide (CID 24555937) is 3-[benzyl-(4-bromo-2,6-dichlorophenyl)sulfonylamino]propanamide.
What is the SMILES notation for 3-[benzyl-(4-bromo-2,6-dichlorophenyl)sulfonylamino]propanamide?
The canonical SMILES for 3-[benzyl-(4-bromo-2,6-dichlorophenyl)sulfonylamino]propanamide is NC(=O)CCN(Cc1ccccc1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 3-[benzyl-(4-bromo-2,6-dichlorophenyl)sulfonylamino]propanamide?
The InChIKey is LZLQWGNBWMCBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrCl2N2O3S/c17-12-8-13(18)16(14(19)9-12)25(23,24)21(7-6-15(20)22)10-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2,(H2,20,22).
What are the key properties of 3-[benzyl-(4-bromo-2,6-dichlorophenyl)sulfonylamino]propanamide?
3-[benzyl-(4-bromo-2,6-dichlorophenyl)sulfonylamino]propanamide has a molecular weight of 466.18 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl-(4-bromo-2,6-dichlorophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 24555937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).