3-bromo-5-chloro-N-[2-(methanesulfonamido)ethyl]benzamide

C10H12BrClN2O3S — CID 113286145

IUPAC3-bromo-5-chloro-N-[2-(methanesulfonamido)ethyl]benzamide
SMILESCS(=O)(=O)NCCNC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C10H12BrClN2O3S/c1-18(16,17)14-3-2-13-10(15)7-4-8(11)6-9(12)5-7/h4-6,14H,2-3H2,1H3,(H,13,15)
InChIKeyDKSFRQGQTQELJD-UHFFFAOYSA-N
MW355.64 g/mol
LogP1.38
Rot. Bonds5

About 3-bromo-5-chloro-N-[2-(methanesulfonamido)ethyl]benzamide

3-bromo-5-chloro-N-[2-(methanesulfonamido)ethyl]benzamide (PubChem CID 113286145) has the molecular formula C10H12BrClN2O3S and a molecular weight of 355.64 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-[2-(methanesulfonamido)ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-[2-(methanesulfonamido)ethyl]benzamide
PubChem CID113286145
Molecular FormulaC10H12BrClN2O3S
Molecular Weight355.64 g/mol
Exact Mass353.94
IUPAC Name3-bromo-5-chloro-N-[2-(methanesulfonamido)ethyl]benzamide
SMILESCS(=O)(=O)NCCNC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C10H12BrClN2O3S/c1-18(16,17)14-3-2-13-10(15)7-4-8(11)6-9(12)5-7/h4-6,14H,2-3H2,1H3,(H,13,15)
InChIKeyDKSFRQGQTQELJD-UHFFFAOYSA-N
XLogP1.38
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.64
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-(2-bromoethyl)-5-chlorobenzamide
CID 107941216
N-(4-acetamidobutyl)-3-bromo-5-chlorobenzamide
CID 110609883
3-bromo-5-chloro-N-(2-methylsulfinylethyl)benzamide
CID 103826990
3-bromo-5-chloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
CID 107940200
3-bromo-5-chloro-N-(2-ethylsulfinylethyl)benzamide
CID 103826993
3-bromo-5-chloro-N-[3-(dimethylamino)-3-oxopropyl]benzamide
CID 103826635
3-bromo-5-chloro-N-(5-hydroxypentyl)benzamide
CID 107342962
ethyl 3-[(3-bromo-5-chlorobenzoyl)amino]propanoate
CID 103826754
3,5-dichloro-N-(2-methylsulfonylethyl)benzamide
CID 47230479
3-bromo-N-(2-butoxyethyl)-5-chlorobenzamide
CID 103826764
3-bromo-5-chloro-N-[(2S)-2-hydroxypropyl]benzamide
CID 103884654
N-(2-azidoethyl)-3-bromo-5-chlorobenzamide
CID 107940769

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-[2-(methanesulfonamido)ethyl]benzamide?
The IUPAC name of 3-bromo-5-chloro-N-[2-(methanesulfonamido)ethyl]benzamide (CID 113286145) is 3-bromo-5-chloro-N-[2-(methanesulfonamido)ethyl]benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-[2-(methanesulfonamido)ethyl]benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-[2-(methanesulfonamido)ethyl]benzamide is CS(=O)(=O)NCCNC(=O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-[2-(methanesulfonamido)ethyl]benzamide?
The InChIKey is DKSFRQGQTQELJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN2O3S/c1-18(16,17)14-3-2-13-10(15)7-4-8(11)6-9(12)5-7/h4-6,14H,2-3H2,1H3,(H,13,15).
What are the key properties of 3-bromo-5-chloro-N-[2-(methanesulfonamido)ethyl]benzamide?
3-bromo-5-chloro-N-[2-(methanesulfonamido)ethyl]benzamide has a molecular weight of 355.64 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-[2-(methanesulfonamido)ethyl]benzamide is sourced from PubChem (CID 113286145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).