5-bromo-2-chloro-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide

C12H16BrClN2O4S — CID 104766693

IUPAC5-bromo-2-chloro-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide
SMILESCC(C)OCCNC(=O)c1cc(Br)cc(S(N)(=O)=O)c1Cl
InChIInChI=1S/C12H16BrClN2O4S/c1-7(2)20-4-3-16-12(17)9-5-8(13)6-10(11(9)14)21(15,18)19/h5-7H,3-4H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyMJBDXYYZHQFEGG-UHFFFAOYSA-N
MW399.69 g/mol
LogP1.90
Rot. Bonds6

About 5-bromo-2-chloro-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide

5-bromo-2-chloro-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide (PubChem CID 104766693) has the molecular formula C12H16BrClN2O4S and a molecular weight of 399.69 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide
PubChem CID104766693
Molecular FormulaC12H16BrClN2O4S
Molecular Weight399.69 g/mol
Exact Mass397.97
IUPAC Name5-bromo-2-chloro-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide
SMILESCC(C)OCCNC(=O)c1cc(Br)cc(S(N)(=O)=O)c1Cl
InChIInChI=1S/C12H16BrClN2O4S/c1-7(2)20-4-3-16-12(17)9-5-8(13)6-10(11(9)14)21(15,18)19/h5-7H,3-4H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyMJBDXYYZHQFEGG-UHFFFAOYSA-N
XLogP1.90
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.69
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide
CID 104766713
5-bromo-2-methyl-3-(2-propan-2-yloxyethylcarbamoyl)benzenesulfonyl chloride
CID 104766569
5-bromo-N-butan-2-yl-2-chloro-3-sulfamoylbenzamide
CID 65373817
4-bromo-2-hydroxy-N-(2-propan-2-yloxyethyl)benzamide
CID 113429309
2-chloro-N-(2-propan-2-yloxyethyl)-5-sulfamoylbenzamide
CID 104600938
5-bromo-N-butan-2-yl-2-chloro-N-ethyl-3-sulfamoylbenzamide
CID 65386809
5-bromo-3-(butylcarbamoyl)-2-chlorobenzenesulfonyl chloride
CID 65367692
3-chloro-4-methyl-5-(2-propan-2-yloxyethylcarbamoyl)benzenesulfonyl chloride
CID 107100736
5-bromo-2-methyl-N-propyl-3-sulfamoylbenzamide
CID 65375922
4-chloro-3-(2-propan-2-yloxyethylcarbamoyl)benzenesulfonyl chloride
CID 104766605
5-bromo-2-fluoro-N-(4-methoxybutyl)-3-sulfamoylbenzamide
CID 65388620
5-bromo-2-methyl-N-(2-methylpropyl)-3-sulfamoylbenzamide
CID 65375575

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide?
The IUPAC name of 5-bromo-2-chloro-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide (CID 104766693) is 5-bromo-2-chloro-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide?
The canonical SMILES for 5-bromo-2-chloro-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide is CC(C)OCCNC(=O)c1cc(Br)cc(S(N)(=O)=O)c1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide?
The InChIKey is MJBDXYYZHQFEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2O4S/c1-7(2)20-4-3-16-12(17)9-5-8(13)6-10(11(9)14)21(15,18)19/h5-7H,3-4H2,1-2H3,(H,16,17)(H2,15,18,19).
What are the key properties of 5-bromo-2-chloro-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide?
5-bromo-2-chloro-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide has a molecular weight of 399.69 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide is sourced from PubChem (CID 104766693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).