3-[(4-bromophenyl)sulfonylamino]-N-[2-(4-chlorophenyl)ethyl]propanamide

C17H18BrClN2O3S — CID 4138425

IUPAC3-[(4-bromophenyl)sulfonylamino]-N-[2-(4-chlorophenyl)ethyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Br)cc1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C17H18BrClN2O3S/c18-14-3-7-16(8-4-14)25(23,24)21-12-10-17(22)20-11-9-13-1-5-15(19)6-2-13/h1-8,21H,9-12H2,(H,20,22)
InChIKeyZDEQYGCSHPJFLC-UHFFFAOYSA-N
MW445.77 g/mol
LogP3.13
Rot. Bonds8

About 3-[(4-bromophenyl)sulfonylamino]-N-[2-(4-chlorophenyl)ethyl]propanamide

3-[(4-bromophenyl)sulfonylamino]-N-[2-(4-chlorophenyl)ethyl]propanamide (PubChem CID 4138425) has the molecular formula C17H18BrClN2O3S and a molecular weight of 445.77 g/mol. Its IUPAC name is 3-[(4-bromophenyl)sulfonylamino]-N-[2-(4-chlorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)sulfonylamino]-N-[2-(4-chlorophenyl)ethyl]propanamide
PubChem CID4138425
Molecular FormulaC17H18BrClN2O3S
Molecular Weight445.77 g/mol
Exact Mass443.99
IUPAC Name3-[(4-bromophenyl)sulfonylamino]-N-[2-(4-chlorophenyl)ethyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Br)cc1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C17H18BrClN2O3S/c18-14-3-7-16(8-4-14)25(23,24)21-12-10-17(22)20-11-9-13-1-5-15(19)6-2-13/h1-8,21H,9-12H2,(H,20,22)
InChIKeyZDEQYGCSHPJFLC-UHFFFAOYSA-N
XLogP3.13
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.77
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-N-phenethylphenylsulfonamido)-N-(4-chlorobenzyl)acetamide
CID 1120653
N~2~-[(4-bromophenyl)sulfonyl]-N~2~-ethyl-N~1~-(2-phenylethyl)glycinamide
CID 2233057
N~2~-[(4-bromophenyl)sulfonyl]-N~2~-methyl-N~1~-(2-phenylethyl)glycinamide
CID 2301201
N-(3-{[2-(4-chlorophenyl)ethyl]amino}-3-oxopropyl)-1-(phenylsulfonyl)piperidine-4-carboxamide
CID 17585369
3-[(4-bromophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 4462145
3-[(4-bromophenyl)sulfonyl]-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 3456811
3-(4-Bromobenzenesulfonamido)-N-[(4-chlorophenyl)methyl]propanamide
CID 4284597
3-(4-Bromobenzenesulfonamido)-N-(2-phenylethyl)propanamide
CID 4462146
3-[(4-bromophenyl)sulfonylamino]-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide
CID 25162720
N~2~-[(4-bromophenyl)sulfonyl]-N~1~-(2-phenylethyl)alaninamide
CID 2955836
3-(4-Chlorobenzenesulfonamido)-N-(2-phenylethyl)propanamide
CID 3532332
1-(4-bromophenyl)sulfonyl-N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 44591900

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-[2-(4-chlorophenyl)ethyl]propanamide?
The IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-[2-(4-chlorophenyl)ethyl]propanamide (CID 4138425) is 3-[(4-bromophenyl)sulfonylamino]-N-[2-(4-chlorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-[(4-bromophenyl)sulfonylamino]-N-[2-(4-chlorophenyl)ethyl]propanamide?
The canonical SMILES for 3-[(4-bromophenyl)sulfonylamino]-N-[2-(4-chlorophenyl)ethyl]propanamide is O=C(CCNS(=O)(=O)c1ccc(Br)cc1)NCCc1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-bromophenyl)sulfonylamino]-N-[2-(4-chlorophenyl)ethyl]propanamide?
The InChIKey is ZDEQYGCSHPJFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrClN2O3S/c18-14-3-7-16(8-4-14)25(23,24)21-12-10-17(22)20-11-9-13-1-5-15(19)6-2-13/h1-8,21H,9-12H2,(H,20,22).
What are the key properties of 3-[(4-bromophenyl)sulfonylamino]-N-[2-(4-chlorophenyl)ethyl]propanamide?
3-[(4-bromophenyl)sulfonylamino]-N-[2-(4-chlorophenyl)ethyl]propanamide has a molecular weight of 445.77 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)sulfonylamino]-N-[2-(4-chlorophenyl)ethyl]propanamide is sourced from PubChem (CID 4138425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).