N-[2-(benzenesulfonyl)ethyl]-2-bromo-5-chlorobenzamide

C15H13BrClNO3S — CID 78902463

IUPACN-[2-(benzenesulfonyl)ethyl]-2-bromo-5-chlorobenzamide
SMILESO=C(NCCS(=O)(=O)c1ccccc1)c1cc(Cl)ccc1Br
InChIInChI=1S/C15H13BrClNO3S/c16-14-7-6-11(17)10-13(14)15(19)18-8-9-22(20,21)12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,18,19)
InChIKeyLMCISIOSEVITAX-UHFFFAOYSA-N
MW402.70 g/mol
LogP3.31
Rot. Bonds5

About N-[2-(benzenesulfonyl)ethyl]-2-bromo-5-chlorobenzamide

N-[2-(benzenesulfonyl)ethyl]-2-bromo-5-chlorobenzamide (PubChem CID 78902463) has the molecular formula C15H13BrClNO3S and a molecular weight of 402.70 g/mol. Its IUPAC name is N-[2-(benzenesulfonyl)ethyl]-2-bromo-5-chlorobenzamide.

Molecular Properties

Compound NameN-[2-(benzenesulfonyl)ethyl]-2-bromo-5-chlorobenzamide
PubChem CID78902463
Molecular FormulaC15H13BrClNO3S
Molecular Weight402.70 g/mol
Exact Mass400.95
IUPAC NameN-[2-(benzenesulfonyl)ethyl]-2-bromo-5-chlorobenzamide
SMILESO=C(NCCS(=O)(=O)c1ccccc1)c1cc(Cl)ccc1Br
InChIInChI=1S/C15H13BrClNO3S/c16-14-7-6-11(17)10-13(14)15(19)18-8-9-22(20,21)12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,18,19)
InChIKeyLMCISIOSEVITAX-UHFFFAOYSA-N
XLogP3.31
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.70
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(benzenesulfonyl)ethyl]-5-chloro-2-methoxybenzamide
CID 47038015
2-bromo-N-(6-bromohexyl)-5-chlorobenzamide
CID 114026635
2-bromo-5-chloro-N-ethylbenzamide
CID 18630175
N-[2-(benzenesulfonyl)ethyl]-2-(4-chlorophenyl)sulfonylacetamide
CID 2765509
2-bromo-5-chloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119508533
N-[2-(benzenesulfonyl)ethyl]-4-(5-chlorothiophen-2-yl)-1H-pyrrole-3-carboxamide
CID 47517698
2-(4-chlorophenyl)sulfonylethylcarbamic acid
CID 54308728
2-bromo-5-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 113221452
N-[2-(benzenesulfonyl)ethyl]-2-methylpropanamide
CID 21034169
2-bromo-5-chloro-N-(3-hydroxy-4-methylpentyl)benzamide
CID 111461022
N-[2-(benzenesulfonyl)ethyl]-2-(2,4-dichlorophenoxy)propanamide
CID 55734024
N-[2-(benzenesulfonyl)ethyl]-3,4,6-trichloro-1-benzothiophene-2-carboxamide
CID 60515515

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonyl)ethyl]-2-bromo-5-chlorobenzamide?
The IUPAC name of N-[2-(benzenesulfonyl)ethyl]-2-bromo-5-chlorobenzamide (CID 78902463) is N-[2-(benzenesulfonyl)ethyl]-2-bromo-5-chlorobenzamide.
What is the SMILES notation for N-[2-(benzenesulfonyl)ethyl]-2-bromo-5-chlorobenzamide?
The canonical SMILES for N-[2-(benzenesulfonyl)ethyl]-2-bromo-5-chlorobenzamide is O=C(NCCS(=O)(=O)c1ccccc1)c1cc(Cl)ccc1Br.
What is the InChIKey of N-[2-(benzenesulfonyl)ethyl]-2-bromo-5-chlorobenzamide?
The InChIKey is LMCISIOSEVITAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO3S/c16-14-7-6-11(17)10-13(14)15(19)18-8-9-22(20,21)12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,18,19).
What are the key properties of N-[2-(benzenesulfonyl)ethyl]-2-bromo-5-chlorobenzamide?
N-[2-(benzenesulfonyl)ethyl]-2-bromo-5-chlorobenzamide has a molecular weight of 402.70 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonyl)ethyl]-2-bromo-5-chlorobenzamide is sourced from PubChem (CID 78902463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).