N-(4-bromophenyl)sulfonyl-N-pentylacetamide

C13H18BrNO3S — CID 146458811

IUPACN-(4-bromophenyl)sulfonyl-N-pentylacetamide
SMILESCCCCCN(C(C)=O)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C13H18BrNO3S/c1-3-4-5-10-15(11(2)16)19(17,18)13-8-6-12(14)7-9-13/h6-9H,3-5,10H2,1-2H3
InChIKeyNWDNECBDUOMVGY-UHFFFAOYSA-N
MW348.26 g/mol
LogP3.18
Rot. Bonds6

About N-(4-bromophenyl)sulfonyl-N-pentylacetamide

N-(4-bromophenyl)sulfonyl-N-pentylacetamide (PubChem CID 146458811) has the molecular formula C13H18BrNO3S and a molecular weight of 348.26 g/mol. Its IUPAC name is N-(4-bromophenyl)sulfonyl-N-pentylacetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)sulfonyl-N-pentylacetamide
PubChem CID146458811
Molecular FormulaC13H18BrNO3S
Molecular Weight348.26 g/mol
Exact Mass347.02
IUPAC NameN-(4-bromophenyl)sulfonyl-N-pentylacetamide
SMILESCCCCCN(C(C)=O)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C13H18BrNO3S/c1-3-4-5-10-15(11(2)16)19(17,18)13-8-6-12(14)7-9-13/h6-9H,3-5,10H2,1-2H3
InChIKeyNWDNECBDUOMVGY-UHFFFAOYSA-N
XLogP3.18
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.26
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-bromophenyl)sulfonyl-butylamino]acetamide
CID 47204425
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-N-butylacetamide
CID 113052454
1-butyl-1-(4-methylphenyl)sulfonylurea
CID 54549158
ethyl 2-[(4-bromophenyl)sulfonyl-propylamino]acetate
CID 60520900
2-[(4-bromophenyl)sulfonyl-methylamino]-N-butan-2-yl-N-butylacetamide
CID 60555512
4-bromo-N,N-dipentylbenzamide
CID 4599077
4-bromo-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide
CID 102995932
4-[butyl(carbamoyl)sulfamoyl]benzoic acid
CID 21123755
N-(benzenesulfonyl)-N-ethylacetamide
CID 138792566
4-chloro-N,N-dihexylbenzenesulfonamide
CID 3310777
4-fluoro-N,N-dihexylbenzenesulfonamide
CID 3650162
2-[acetyl-(4-bromophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)acetamide
CID 99784876

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)sulfonyl-N-pentylacetamide?
The IUPAC name of N-(4-bromophenyl)sulfonyl-N-pentylacetamide (CID 146458811) is N-(4-bromophenyl)sulfonyl-N-pentylacetamide.
What is the SMILES notation for N-(4-bromophenyl)sulfonyl-N-pentylacetamide?
The canonical SMILES for N-(4-bromophenyl)sulfonyl-N-pentylacetamide is CCCCCN(C(C)=O)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)sulfonyl-N-pentylacetamide?
The InChIKey is NWDNECBDUOMVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO3S/c1-3-4-5-10-15(11(2)16)19(17,18)13-8-6-12(14)7-9-13/h6-9H,3-5,10H2,1-2H3.
What are the key properties of N-(4-bromophenyl)sulfonyl-N-pentylacetamide?
N-(4-bromophenyl)sulfonyl-N-pentylacetamide has a molecular weight of 348.26 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)sulfonyl-N-pentylacetamide is sourced from PubChem (CID 146458811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).