1-bromo-2-[1-[[[ethyl(methyl)sulfamoyl]amino]methyl]cyclopropyl]benzene

C13H19BrN2O2S — CID 71984711

IUPAC1-bromo-2-[1-[[[ethyl(methyl)sulfamoyl]amino]methyl]cyclopropyl]benzene
SMILESCCN(C)S(=O)(=O)NCC1(c2ccccc2Br)CC1
InChIInChI=1S/C13H19BrN2O2S/c1-3-16(2)19(17,18)15-10-13(8-9-13)11-6-4-5-7-12(11)14/h4-7,15H,3,8-10H2,1-2H3
InChIKeyCOZPJDPBLUDRMN-UHFFFAOYSA-N
MW347.28 g/mol
LogP2.27
Rot. Bonds6

About 1-bromo-2-[1-[[[ethyl(methyl)sulfamoyl]amino]methyl]cyclopropyl]benzene

1-bromo-2-[1-[[[ethyl(methyl)sulfamoyl]amino]methyl]cyclopropyl]benzene (PubChem CID 71984711) has the molecular formula C13H19BrN2O2S and a molecular weight of 347.28 g/mol. Its IUPAC name is 1-bromo-2-[1-[[[ethyl(methyl)sulfamoyl]amino]methyl]cyclopropyl]benzene.

Molecular Properties

Compound Name1-bromo-2-[1-[[[ethyl(methyl)sulfamoyl]amino]methyl]cyclopropyl]benzene
PubChem CID71984711
Molecular FormulaC13H19BrN2O2S
Molecular Weight347.28 g/mol
Exact Mass346.04
IUPAC Name1-bromo-2-[1-[[[ethyl(methyl)sulfamoyl]amino]methyl]cyclopropyl]benzene
SMILESCCN(C)S(=O)(=O)NCC1(c2ccccc2Br)CC1
InChIInChI=1S/C13H19BrN2O2S/c1-3-16(2)19(17,18)15-10-13(8-9-13)11-6-4-5-7-12(11)14/h4-7,15H,3,8-10H2,1-2H3
InChIKeyCOZPJDPBLUDRMN-UHFFFAOYSA-N
XLogP2.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.28
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-bromo-2-[1-[[[ethyl(methyl)sulfamoyl]amino]methyl]cyclopropyl]benzene 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 1-bromo-2-[1-[[[ethyl(methyl)sulfamoyl]amino]methyl]cyclopropyl]benzene?
The IUPAC name of 1-bromo-2-[1-[[[ethyl(methyl)sulfamoyl]amino]methyl]cyclopropyl]benzene (CID 71984711) is 1-bromo-2-[1-[[[ethyl(methyl)sulfamoyl]amino]methyl]cyclopropyl]benzene.
What is the SMILES notation for 1-bromo-2-[1-[[[ethyl(methyl)sulfamoyl]amino]methyl]cyclopropyl]benzene?
The canonical SMILES for 1-bromo-2-[1-[[[ethyl(methyl)sulfamoyl]amino]methyl]cyclopropyl]benzene is CCN(C)S(=O)(=O)NCC1(c2ccccc2Br)CC1.
What is the InChIKey of 1-bromo-2-[1-[[[ethyl(methyl)sulfamoyl]amino]methyl]cyclopropyl]benzene?
The InChIKey is COZPJDPBLUDRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2S/c1-3-16(2)19(17,18)15-10-13(8-9-13)11-6-4-5-7-12(11)14/h4-7,15H,3,8-10H2,1-2H3.
What are the key properties of 1-bromo-2-[1-[[[ethyl(methyl)sulfamoyl]amino]methyl]cyclopropyl]benzene?
1-bromo-2-[1-[[[ethyl(methyl)sulfamoyl]amino]methyl]cyclopropyl]benzene has a molecular weight of 347.28 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[1-[[[ethyl(methyl)sulfamoyl]amino]methyl]cyclopropyl]benzene is sourced from PubChem (CID 71984711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).