2-[(4-bromophenyl)sulfonylamino]-N-[2-(2,4-dichlorophenyl)ethyl]pentanamide

C19H21BrCl2N2O3S — CID 42703141

IUPAC2-[(4-bromophenyl)sulfonylamino]-N-[2-(2,4-dichlorophenyl)ethyl]pentanamide
SMILESCCCC(NS(=O)(=O)c1ccc(Br)cc1)C(=O)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H21BrCl2N2O3S/c1-2-3-18(24-28(26,27)16-8-5-14(20)6-9-16)19(25)23-11-10-13-4-7-15(21)12-17(13)22/h4-9,12,18,24H,2-3,10-11H2,1H3,(H,23,25)
InChIKeyITCIOOJFVPARLJ-UHFFFAOYSA-N
MW508.27 g/mol
LogP4.56
Rot. Bonds9

About 2-[(4-bromophenyl)sulfonylamino]-N-[2-(2,4-dichlorophenyl)ethyl]pentanamide

2-[(4-bromophenyl)sulfonylamino]-N-[2-(2,4-dichlorophenyl)ethyl]pentanamide (PubChem CID 42703141) has the molecular formula C19H21BrCl2N2O3S and a molecular weight of 508.27 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonylamino]-N-[2-(2,4-dichlorophenyl)ethyl]pentanamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonylamino]-N-[2-(2,4-dichlorophenyl)ethyl]pentanamide
PubChem CID42703141
Molecular FormulaC19H21BrCl2N2O3S
Molecular Weight508.27 g/mol
Exact Mass505.98
IUPAC Name2-[(4-bromophenyl)sulfonylamino]-N-[2-(2,4-dichlorophenyl)ethyl]pentanamide
SMILESCCCC(NS(=O)(=O)c1ccc(Br)cc1)C(=O)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H21BrCl2N2O3S/c1-2-3-18(24-28(26,27)16-8-5-14(20)6-9-16)19(25)23-11-10-13-4-7-15(21)12-17(13)22/h4-9,12,18,24H,2-3,10-11H2,1H3,(H,23,25)
InChIKeyITCIOOJFVPARLJ-UHFFFAOYSA-N
XLogP4.56
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.27
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(4-bromophenyl)sulfonylamino]-N-[2-(2,4-dichlorophenyl)ethyl]pentanamide 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

2-amino-N-[2-(2,4-dichlorophenyl)ethyl]pentanamide;hydrochloride
CID 119263881
N-[2-(2,4-dichlorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide
CID 62853416
(2S)-2-[(4-chlorophenyl)sulfonylamino]pentanoic acid
CID 788533
1-[2-(2,4-dichlorophenyl)ethyl]-3-propylurea
CID 47103763
2-[(4-bromophenyl)sulfonylamino]-4-methylsulfanyl-N-pentylbutanamide
CID 43002628
2-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-3-methylbutanamide
CID 43095602
2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-[[2-(2,4-dichlorophenoxy)acetyl]amino]hexanoic acid
CID 23288386
(2S)-2-(carbamoylamino)-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylsulfanylbutanamide
CID 2161581
2-amino-N-[2-(2,4-dichlorophenyl)ethyl]propanamide;hydrochloride
CID 119263877
2-[(4-bromophenyl)sulfonylamino]-N-propylpropanamide
CID 4312518
(2R)-2-amino-N-[2-(2,4-dichlorophenyl)ethyl]propanamide;hydrochloride
CID 119263879
3-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-5-methylbenzamide
CID 104851790

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N-[2-(2,4-dichlorophenyl)ethyl]pentanamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N-[2-(2,4-dichlorophenyl)ethyl]pentanamide (CID 42703141) is 2-[(4-bromophenyl)sulfonylamino]-N-[2-(2,4-dichlorophenyl)ethyl]pentanamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonylamino]-N-[2-(2,4-dichlorophenyl)ethyl]pentanamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonylamino]-N-[2-(2,4-dichlorophenyl)ethyl]pentanamide is CCCC(NS(=O)(=O)c1ccc(Br)cc1)C(=O)NCCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[(4-bromophenyl)sulfonylamino]-N-[2-(2,4-dichlorophenyl)ethyl]pentanamide?
The InChIKey is ITCIOOJFVPARLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrCl2N2O3S/c1-2-3-18(24-28(26,27)16-8-5-14(20)6-9-16)19(25)23-11-10-13-4-7-15(21)12-17(13)22/h4-9,12,18,24H,2-3,10-11H2,1H3,(H,23,25).
What are the key properties of 2-[(4-bromophenyl)sulfonylamino]-N-[2-(2,4-dichlorophenyl)ethyl]pentanamide?
2-[(4-bromophenyl)sulfonylamino]-N-[2-(2,4-dichlorophenyl)ethyl]pentanamide has a molecular weight of 508.27 g/mol, XLogP of 4.56, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonylamino]-N-[2-(2,4-dichlorophenyl)ethyl]pentanamide is sourced from PubChem (CID 42703141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).