2-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-bromo-1-chlorobenzene

C10H15BrClN3O2S — CID 114141037

IUPAC2-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-bromo-1-chlorobenzene
SMILESCN(CCCN)S(=O)(=O)Nc1cc(Br)ccc1Cl
InChIInChI=1S/C10H15BrClN3O2S/c1-15(6-2-5-13)18(16,17)14-10-7-8(11)3-4-9(10)12/h3-4,7,14H,2,5-6,13H2,1H3
InChIKeyAMDPHYHTDOTQGV-UHFFFAOYSA-N
MW356.67 g/mol
LogP2.04
Rot. Bonds6

About 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-bromo-1-chlorobenzene

2-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-bromo-1-chlorobenzene (PubChem CID 114141037) has the molecular formula C10H15BrClN3O2S and a molecular weight of 356.67 g/mol. Its IUPAC name is 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-bromo-1-chlorobenzene.

Molecular Properties

Compound Name2-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-bromo-1-chlorobenzene
PubChem CID114141037
Molecular FormulaC10H15BrClN3O2S
Molecular Weight356.67 g/mol
Exact Mass354.98
IUPAC Name2-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-bromo-1-chlorobenzene
SMILESCN(CCCN)S(=O)(=O)Nc1cc(Br)ccc1Cl
InChIInChI=1S/C10H15BrClN3O2S/c1-15(6-2-5-13)18(16,17)14-10-7-8(11)3-4-9(10)12/h3-4,7,14H,2,5-6,13H2,1H3
InChIKeyAMDPHYHTDOTQGV-UHFFFAOYSA-N
XLogP2.04
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.67
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-bromo-1-chlorobenzene 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-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,4-dibromobenzene
CID 106007389
4-bromo-1-chloro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
CID 106056678
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-bromo-2-fluorobenzene
CID 114141108
2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-bromo-4-iodobenzene
CID 114261617
2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,3-dichlorobenzene
CID 114141477
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-chloro-4-(trifluoromethyl)benzene
CID 106003027
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-3,5-dichlorobenzene
CID 106058979
4-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-bromopyridine
CID 106076050
1-chloro-2-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-4-iodobenzene
CID 114261610
N-(3-aminopropyl)-2,5-dibromo-N-methylbenzenesulfonamide
CID 113285756
1-chloro-4-fluoro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
CID 106088483
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2,3,4-trifluorobenzene
CID 61456312

Frequently Asked Questions

What is the IUPAC name of 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-bromo-1-chlorobenzene?
The IUPAC name of 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-bromo-1-chlorobenzene (CID 114141037) is 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-bromo-1-chlorobenzene.
What is the SMILES notation for 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-bromo-1-chlorobenzene?
The canonical SMILES for 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-bromo-1-chlorobenzene is CN(CCCN)S(=O)(=O)Nc1cc(Br)ccc1Cl.
What is the InChIKey of 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-bromo-1-chlorobenzene?
The InChIKey is AMDPHYHTDOTQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrClN3O2S/c1-15(6-2-5-13)18(16,17)14-10-7-8(11)3-4-9(10)12/h3-4,7,14H,2,5-6,13H2,1H3.
What are the key properties of 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-bromo-1-chlorobenzene?
2-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-bromo-1-chlorobenzene has a molecular weight of 356.67 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-bromo-1-chlorobenzene is sourced from PubChem (CID 114141037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).