2-bromo-N-propan-2-yl-N-propyl-5-sulfamoylbenzamide

C13H19BrN2O3S — CID 65388515

IUPAC2-bromo-N-propan-2-yl-N-propyl-5-sulfamoylbenzamide
SMILESCCCN(C(=O)c1cc(S(N)(=O)=O)ccc1Br)C(C)C
InChIInChI=1S/C13H19BrN2O3S/c1-4-7-16(9(2)3)13(17)11-8-10(20(15,18)19)5-6-12(11)14/h5-6,8-9H,4,7H2,1-3H3,(H2,15,18,19)
InChIKeySKJNVOOEZVTCTN-UHFFFAOYSA-N
MW363.28 g/mol
LogP2.36
Rot. Bonds5

About 2-bromo-N-propan-2-yl-N-propyl-5-sulfamoylbenzamide

2-bromo-N-propan-2-yl-N-propyl-5-sulfamoylbenzamide (PubChem CID 65388515) has the molecular formula C13H19BrN2O3S and a molecular weight of 363.28 g/mol. Its IUPAC name is 2-bromo-N-propan-2-yl-N-propyl-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-bromo-N-propan-2-yl-N-propyl-5-sulfamoylbenzamide
PubChem CID65388515
Molecular FormulaC13H19BrN2O3S
Molecular Weight363.28 g/mol
Exact Mass362.03
IUPAC Name2-bromo-N-propan-2-yl-N-propyl-5-sulfamoylbenzamide
SMILESCCCN(C(=O)c1cc(S(N)(=O)=O)ccc1Br)C(C)C
InChIInChI=1S/C13H19BrN2O3S/c1-4-7-16(9(2)3)13(17)11-8-10(20(15,18)19)5-6-12(11)14/h5-6,8-9H,4,7H2,1-3H3,(H2,15,18,19)
InChIKeySKJNVOOEZVTCTN-UHFFFAOYSA-N
XLogP2.36
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.28
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-bromo-N-propan-2-yl-N-propyl-5-sulfamoylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N,N-diethyl-5-sulfamoylbenzamide
CID 47101234
N-propan-2-yl-N-propyl-3-sulfamoylbenzamide
CID 43269913
2-bromo-N-methyl-N-(2-methylpropyl)-5-sulfamoylbenzamide
CID 47163482
2,4-dibromo-N-propan-2-yl-N-propylbenzamide
CID 107951573
2-bromo-5-methyl-N-pentyl-N-propan-2-ylbenzamide
CID 81109662
2-bromo-N-[(4-ethylphenyl)methyl]-N-methyl-5-sulfamoylbenzamide
CID 34889810
ethyl 2-bromo-5-sulfamoylbenzoate
CID 43828339
N-benzyl-2-bromo-5-(diethylsulfamoyl)-N-propan-2-ylbenzamide
CID 30099721
butyl 2-bromo-5-sulfamoylbenzoate
CID 60730717
5-chloro-2-methyl-N-propan-2-yl-N-propyl-3-sulfamoylbenzamide
CID 82878197
2,5-difluoro-N-propan-2-yl-N-propyl-3-sulfamoylbenzamide
CID 65387362
2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-5-sulfamoylbenzamide
CID 55586408

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-propan-2-yl-N-propyl-5-sulfamoylbenzamide?
The IUPAC name of 2-bromo-N-propan-2-yl-N-propyl-5-sulfamoylbenzamide (CID 65388515) is 2-bromo-N-propan-2-yl-N-propyl-5-sulfamoylbenzamide.
What is the SMILES notation for 2-bromo-N-propan-2-yl-N-propyl-5-sulfamoylbenzamide?
The canonical SMILES for 2-bromo-N-propan-2-yl-N-propyl-5-sulfamoylbenzamide is CCCN(C(=O)c1cc(S(N)(=O)=O)ccc1Br)C(C)C.
What is the InChIKey of 2-bromo-N-propan-2-yl-N-propyl-5-sulfamoylbenzamide?
The InChIKey is SKJNVOOEZVTCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O3S/c1-4-7-16(9(2)3)13(17)11-8-10(20(15,18)19)5-6-12(11)14/h5-6,8-9H,4,7H2,1-3H3,(H2,15,18,19).
What are the key properties of 2-bromo-N-propan-2-yl-N-propyl-5-sulfamoylbenzamide?
2-bromo-N-propan-2-yl-N-propyl-5-sulfamoylbenzamide has a molecular weight of 363.28 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-propan-2-yl-N-propyl-5-sulfamoylbenzamide is sourced from PubChem (CID 65388515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).