5-bromo-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]-3-sulfamoylbenzamide

C14H19BrN2O3S — CID 65387721

IUPAC5-bromo-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]-3-sulfamoylbenzamide
SMILESCc1c(C(=O)N(C)CC2CC2C)cc(Br)cc1S(N)(=O)=O
InChIInChI=1S/C14H19BrN2O3S/c1-8-4-10(8)7-17(3)14(18)12-5-11(15)6-13(9(12)2)21(16,19)20/h5-6,8,10H,4,7H2,1-3H3,(H2,16,19,20)
InChIKeyFCVIGBRHZCESKH-UHFFFAOYSA-N
MW375.29 g/mol
LogP2.13
Rot. Bonds4

About 5-bromo-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]-3-sulfamoylbenzamide

5-bromo-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]-3-sulfamoylbenzamide (PubChem CID 65387721) has the molecular formula C14H19BrN2O3S and a molecular weight of 375.29 g/mol. Its IUPAC name is 5-bromo-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]-3-sulfamoylbenzamide.

Molecular Properties

Compound Name5-bromo-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]-3-sulfamoylbenzamide
PubChem CID65387721
Molecular FormulaC14H19BrN2O3S
Molecular Weight375.29 g/mol
Exact Mass374.03
IUPAC Name5-bromo-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]-3-sulfamoylbenzamide
SMILESCc1c(C(=O)N(C)CC2CC2C)cc(Br)cc1S(N)(=O)=O
InChIInChI=1S/C14H19BrN2O3S/c1-8-4-10(8)7-17(3)14(18)12-5-11(15)6-13(9(12)2)21(16,19)20/h5-6,8,10H,4,7H2,1-3H3,(H2,16,19,20)
InChIKeyFCVIGBRHZCESKH-UHFFFAOYSA-N
XLogP2.13
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]-3-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

3-amino-5-bromo-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 107872784
3-chloro-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]-5-sulfamoylbenzamide
CID 107100990
5-bromo-N-(2-methoxyethyl)-N,2-dimethyl-3-sulfamoylbenzamide
CID 65387443
3-[(5-bromo-2-methyl-3-sulfamoylbenzoyl)-methylamino]-2-methylpropanoic acid
CID 122111706
5-bromo-N-(cyclopropylmethyl)-N-ethyl-2-methyl-3-sulfamoylbenzamide
CID 65388297
2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-6-sulfamoylbenzamide
CID 63858500
N-methyl-N-[(2-methylcyclopropyl)methyl]-3-sulfamoylbenzamide
CID 55258090
2-bromo-4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 107988270
5-bromo-2-methyl-N-propyl-3-sulfamoylbenzamide
CID 65375922
2-amino-5-fluoro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 55257844
5-bromo-2-methyl-N-(2-methylpropyl)-3-sulfamoylbenzamide
CID 65375575
2,4-difluoro-5-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]benzenesulfonyl chloride
CID 65398593

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]-3-sulfamoylbenzamide?
The IUPAC name of 5-bromo-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]-3-sulfamoylbenzamide (CID 65387721) is 5-bromo-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]-3-sulfamoylbenzamide.
What is the SMILES notation for 5-bromo-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]-3-sulfamoylbenzamide?
The canonical SMILES for 5-bromo-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]-3-sulfamoylbenzamide is Cc1c(C(=O)N(C)CC2CC2C)cc(Br)cc1S(N)(=O)=O.
What is the InChIKey of 5-bromo-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]-3-sulfamoylbenzamide?
The InChIKey is FCVIGBRHZCESKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3S/c1-8-4-10(8)7-17(3)14(18)12-5-11(15)6-13(9(12)2)21(16,19)20/h5-6,8,10H,4,7H2,1-3H3,(H2,16,19,20).
What are the key properties of 5-bromo-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]-3-sulfamoylbenzamide?
5-bromo-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]-3-sulfamoylbenzamide has a molecular weight of 375.29 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]-3-sulfamoylbenzamide is sourced from PubChem (CID 65387721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).