N-[1-(4-bromophenyl)propyl]-3-[(2-chlorophenyl)sulfonylamino]propanamide

C18H20BrClN2O3S — CID 55349114

IUPACN-[1-(4-bromophenyl)propyl]-3-[(2-chlorophenyl)sulfonylamino]propanamide
SMILESCCC(NC(=O)CCNS(=O)(=O)c1ccccc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C18H20BrClN2O3S/c1-2-16(13-7-9-14(19)10-8-13)22-18(23)11-12-21-26(24,25)17-6-4-3-5-15(17)20/h3-10,16,21H,2,11-12H2,1H3,(H,22,23)
InChIKeyHFWHQEXPDDOOIP-UHFFFAOYSA-N
MW459.79 g/mol
LogP4.04
Rot. Bonds8

About N-[1-(4-bromophenyl)propyl]-3-[(2-chlorophenyl)sulfonylamino]propanamide

N-[1-(4-bromophenyl)propyl]-3-[(2-chlorophenyl)sulfonylamino]propanamide (PubChem CID 55349114) has the molecular formula C18H20BrClN2O3S and a molecular weight of 459.79 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propyl]-3-[(2-chlorophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propyl]-3-[(2-chlorophenyl)sulfonylamino]propanamide
PubChem CID55349114
Molecular FormulaC18H20BrClN2O3S
Molecular Weight459.79 g/mol
Exact Mass458.01
IUPAC NameN-[1-(4-bromophenyl)propyl]-3-[(2-chlorophenyl)sulfonylamino]propanamide
SMILESCCC(NC(=O)CCNS(=O)(=O)c1ccccc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C18H20BrClN2O3S/c1-2-16(13-7-9-14(19)10-8-13)22-18(23)11-12-21-26(24,25)17-6-4-3-5-15(17)20/h3-10,16,21H,2,11-12H2,1H3,(H,22,23)
InChIKeyHFWHQEXPDDOOIP-UHFFFAOYSA-N
XLogP4.04
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.79
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-(4-bromophenyl)propyl]-3-[(2-chlorophenyl)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

N-[1-(4-bromophenyl)propyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 43011602
methyl 3-[3-[(2-chlorophenyl)sulfonylamino]propanoylamino]-3-(3,4-dimethoxyphenyl)propanoate
CID 55440587
3-[(2-chlorophenyl)sulfonylamino]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]propanamide
CID 55948237
3-[(2-chlorophenyl)sulfonylamino]-N-[1-[2-(methanesulfonamido)phenyl]ethyl]propanamide
CID 55933849
methyl 3-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]-3-phenylpropanoate
CID 46657423
3-[(2-chlorophenyl)sulfonylamino]-N-(4-ethylphenyl)propanamide
CID 26697206
N-butan-2-yl-2-[(2-chlorophenyl)sulfonylamino]acetamide
CID 112990861
3-[(4-bromo-2-chlorophenyl)sulfonylamino]-N-propylpropanamide
CID 61061030
2-chloro-N-[3-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 55350760
2-amino-N-[1-(4-bromophenyl)propyl]acetamide
CID 43233777
2-(4-bromoanilino)-N-(1-phenylpropyl)acetamide
CID 54811171
N-[1-(4-bromophenyl)propyl]-2-(tert-butylamino)acetamide
CID 112723289

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propyl]-3-[(2-chlorophenyl)sulfonylamino]propanamide?
The IUPAC name of N-[1-(4-bromophenyl)propyl]-3-[(2-chlorophenyl)sulfonylamino]propanamide (CID 55349114) is N-[1-(4-bromophenyl)propyl]-3-[(2-chlorophenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[1-(4-bromophenyl)propyl]-3-[(2-chlorophenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[1-(4-bromophenyl)propyl]-3-[(2-chlorophenyl)sulfonylamino]propanamide is CCC(NC(=O)CCNS(=O)(=O)c1ccccc1Cl)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)propyl]-3-[(2-chlorophenyl)sulfonylamino]propanamide?
The InChIKey is HFWHQEXPDDOOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrClN2O3S/c1-2-16(13-7-9-14(19)10-8-13)22-18(23)11-12-21-26(24,25)17-6-4-3-5-15(17)20/h3-10,16,21H,2,11-12H2,1H3,(H,22,23).
What are the key properties of N-[1-(4-bromophenyl)propyl]-3-[(2-chlorophenyl)sulfonylamino]propanamide?
N-[1-(4-bromophenyl)propyl]-3-[(2-chlorophenyl)sulfonylamino]propanamide has a molecular weight of 459.79 g/mol, XLogP of 4.04, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)propyl]-3-[(2-chlorophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 55349114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).