2-bromo-1-N-cyclopropyl-3-N-[(1S,2R)-2-fluorocyclopropyl]-5-sulfamoylbenzene-1,3-dicarboxamide

C14H15BrFN3O4S — CID 154726888

IUPAC2-bromo-1-N-cyclopropyl-3-N-[(1S,2R)-2-fluorocyclopropyl]-5-sulfamoylbenzene-1,3-dicarboxamide
SMILESNS(=O)(=O)c1cc(C(=O)NC2CC2)c(Br)c(C(=O)N[C@H]2C[C@H]2F)c1
InChIInChI=1S/C14H15BrFN3O4S/c15-12-8(13(20)18-6-1-2-6)3-7(24(17,22)23)4-9(12)14(21)19-11-5-10(11)16/h3-4,6,10-11H,1-2,5H2,(H,18,20)(H,19,21)(H2,17,22,23)/t10-,11+/m1/s1
InChIKeyNDBHXOVTZWAQOO-MNOVXSKESA-N
MW420.26 g/mol
LogP0.83
Rot. Bonds5

About 2-bromo-1-N-cyclopropyl-3-N-[(1S,2R)-2-fluorocyclopropyl]-5-sulfamoylbenzene-1,3-dicarboxamide

2-bromo-1-N-cyclopropyl-3-N-[(1S,2R)-2-fluorocyclopropyl]-5-sulfamoylbenzene-1,3-dicarboxamide (PubChem CID 154726888) has the molecular formula C14H15BrFN3O4S and a molecular weight of 420.26 g/mol. Its IUPAC name is 2-bromo-1-N-cyclopropyl-3-N-[(1S,2R)-2-fluorocyclopropyl]-5-sulfamoylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name2-bromo-1-N-cyclopropyl-3-N-[(1S,2R)-2-fluorocyclopropyl]-5-sulfamoylbenzene-1,3-dicarboxamide
PubChem CID154726888
Molecular FormulaC14H15BrFN3O4S
Molecular Weight420.26 g/mol
Exact Mass419.00
IUPAC Name2-bromo-1-N-cyclopropyl-3-N-[(1S,2R)-2-fluorocyclopropyl]-5-sulfamoylbenzene-1,3-dicarboxamide
SMILESNS(=O)(=O)c1cc(C(=O)NC2CC2)c(Br)c(C(=O)N[C@H]2C[C@H]2F)c1
InChIInChI=1S/C14H15BrFN3O4S/c15-12-8(13(20)18-6-1-2-6)3-7(24(17,22)23)4-9(12)14(21)19-11-5-10(11)16/h3-4,6,10-11H,1-2,5H2,(H,18,20)(H,19,21)(H2,17,22,23)/t10-,11+/m1/s1
InChIKeyNDBHXOVTZWAQOO-MNOVXSKESA-N
XLogP0.83
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.26
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-bromo-1-N-cyclopropyl-3-N-[(1S,2R)-2-fluorocyclopropyl]-5-sulfamoylbenzene-1,3-dicarboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-N-cyclopropyl-3-N-[(1S,2R)-2-fluorocyclopropyl]-5-sulfamoylbenzene-1,3-dicarboxamide?
The IUPAC name of 2-bromo-1-N-cyclopropyl-3-N-[(1S,2R)-2-fluorocyclopropyl]-5-sulfamoylbenzene-1,3-dicarboxamide (CID 154726888) is 2-bromo-1-N-cyclopropyl-3-N-[(1S,2R)-2-fluorocyclopropyl]-5-sulfamoylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 2-bromo-1-N-cyclopropyl-3-N-[(1S,2R)-2-fluorocyclopropyl]-5-sulfamoylbenzene-1,3-dicarboxamide?
The canonical SMILES for 2-bromo-1-N-cyclopropyl-3-N-[(1S,2R)-2-fluorocyclopropyl]-5-sulfamoylbenzene-1,3-dicarboxamide is NS(=O)(=O)c1cc(C(=O)NC2CC2)c(Br)c(C(=O)N[C@H]2C[C@H]2F)c1.
What is the InChIKey of 2-bromo-1-N-cyclopropyl-3-N-[(1S,2R)-2-fluorocyclopropyl]-5-sulfamoylbenzene-1,3-dicarboxamide?
The InChIKey is NDBHXOVTZWAQOO-MNOVXSKESA-N. The full InChI is InChI=1S/C14H15BrFN3O4S/c15-12-8(13(20)18-6-1-2-6)3-7(24(17,22)23)4-9(12)14(21)19-11-5-10(11)16/h3-4,6,10-11H,1-2,5H2,(H,18,20)(H,19,21)(H2,17,22,23)/t10-,11+/m1/s1.
What are the key properties of 2-bromo-1-N-cyclopropyl-3-N-[(1S,2R)-2-fluorocyclopropyl]-5-sulfamoylbenzene-1,3-dicarboxamide?
2-bromo-1-N-cyclopropyl-3-N-[(1S,2R)-2-fluorocyclopropyl]-5-sulfamoylbenzene-1,3-dicarboxamide has a molecular weight of 420.26 g/mol, XLogP of 0.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-N-cyclopropyl-3-N-[(1S,2R)-2-fluorocyclopropyl]-5-sulfamoylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 154726888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).