2-bromo-N-[3-(N-methylanilino)propyl]-5-sulfamoylbenzamide

C17H20BrN3O3S — CID 25336077

IUPAC2-bromo-N-[3-(N-methylanilino)propyl]-5-sulfamoylbenzamide
SMILESCN(CCCNC(=O)c1cc(S(N)(=O)=O)ccc1Br)c1ccccc1
InChIInChI=1S/C17H20BrN3O3S/c1-21(13-6-3-2-4-7-13)11-5-10-20-17(22)15-12-14(25(19,23)24)8-9-16(15)18/h2-4,6-9,12H,5,10-11H2,1H3,(H,20,22)(H2,19,23,24)
InChIKeyBSSJAFRVTPTLJX-UHFFFAOYSA-N
MW426.34 g/mol
LogP2.35
Rot. Bonds7

About 2-bromo-N-[3-(N-methylanilino)propyl]-5-sulfamoylbenzamide

2-bromo-N-[3-(N-methylanilino)propyl]-5-sulfamoylbenzamide (PubChem CID 25336077) has the molecular formula C17H20BrN3O3S and a molecular weight of 426.34 g/mol. Its IUPAC name is 2-bromo-N-[3-(N-methylanilino)propyl]-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-bromo-N-[3-(N-methylanilino)propyl]-5-sulfamoylbenzamide
PubChem CID25336077
Molecular FormulaC17H20BrN3O3S
Molecular Weight426.34 g/mol
Exact Mass425.04
IUPAC Name2-bromo-N-[3-(N-methylanilino)propyl]-5-sulfamoylbenzamide
SMILESCN(CCCNC(=O)c1cc(S(N)(=O)=O)ccc1Br)c1ccccc1
InChIInChI=1S/C17H20BrN3O3S/c1-21(13-6-3-2-4-7-13)11-5-10-20-17(22)15-12-14(25(19,23)24)8-9-16(15)18/h2-4,6-9,12H,5,10-11H2,1H3,(H,20,22)(H2,19,23,24)
InChIKeyBSSJAFRVTPTLJX-UHFFFAOYSA-N
XLogP2.35
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.34
LogP ≤ 52.35
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-bromo-5-(cyclopropylsulfamoyl)-N-[2-(N-methylanilino)ethyl]benzamide
CID 25396976
5-(diethylsulfamoyl)-2-methyl-N-[3-(N-methylanilino)propyl]benzamide
CID 26177992
2-bromo-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 31540706
2-bromo-N-(2-phenoxyethyl)-5-sulfamoylbenzamide
CID 26676757
5-amino-2-methyl-N-[4-(N-methylanilino)butyl]benzamide
CID 120645211
2-bromo-5-(tert-butylsulfamoyl)-N-[3-(N-ethylanilino)propyl]benzamide
CID 32795071
2-bromo-N-(3-indol-1-ylpropyl)-5-sulfamoylbenzamide
CID 25393245
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
4-bromo-N-[3-(N-methylanilino)propyl]benzamide
CID 8802898
3-bromo-N-[3-(N-methylanilino)propyl]benzamide
CID 8802899
N-(2-benzamidoethyl)-2-methyl-5-sulfamoylbenzamide
CID 38196154
2,4-dichloro-N-[3-(N-methylanilino)propyl]benzamide
CID 27746785

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-(N-methylanilino)propyl]-5-sulfamoylbenzamide?
The IUPAC name of 2-bromo-N-[3-(N-methylanilino)propyl]-5-sulfamoylbenzamide (CID 25336077) is 2-bromo-N-[3-(N-methylanilino)propyl]-5-sulfamoylbenzamide.
What is the SMILES notation for 2-bromo-N-[3-(N-methylanilino)propyl]-5-sulfamoylbenzamide?
The canonical SMILES for 2-bromo-N-[3-(N-methylanilino)propyl]-5-sulfamoylbenzamide is CN(CCCNC(=O)c1cc(S(N)(=O)=O)ccc1Br)c1ccccc1.
What is the InChIKey of 2-bromo-N-[3-(N-methylanilino)propyl]-5-sulfamoylbenzamide?
The InChIKey is BSSJAFRVTPTLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O3S/c1-21(13-6-3-2-4-7-13)11-5-10-20-17(22)15-12-14(25(19,23)24)8-9-16(15)18/h2-4,6-9,12H,5,10-11H2,1H3,(H,20,22)(H2,19,23,24).
What are the key properties of 2-bromo-N-[3-(N-methylanilino)propyl]-5-sulfamoylbenzamide?
2-bromo-N-[3-(N-methylanilino)propyl]-5-sulfamoylbenzamide has a molecular weight of 426.34 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-(N-methylanilino)propyl]-5-sulfamoylbenzamide is sourced from PubChem (CID 25336077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).