2-bromo-4-chloro-1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]benzene

C10H14BrClN2O3S — CID 114135273

IUPAC2-bromo-4-chloro-1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]benzene
SMILESCN(CCCO)S(=O)(=O)Nc1ccc(Cl)cc1Br
InChIInChI=1S/C10H14BrClN2O3S/c1-14(5-2-6-15)18(16,17)13-10-4-3-8(12)7-9(10)11/h3-4,7,13,15H,2,5-6H2,1H3
InChIKeyONZSYXZWMWRYDH-UHFFFAOYSA-N
MW357.66 g/mol
LogP2.07
Rot. Bonds6

About 2-bromo-4-chloro-1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]benzene

2-bromo-4-chloro-1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]benzene (PubChem CID 114135273) has the molecular formula C10H14BrClN2O3S and a molecular weight of 357.66 g/mol. Its IUPAC name is 2-bromo-4-chloro-1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]benzene.

Molecular Properties

Compound Name2-bromo-4-chloro-1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]benzene
PubChem CID114135273
Molecular FormulaC10H14BrClN2O3S
Molecular Weight357.66 g/mol
Exact Mass355.96
IUPAC Name2-bromo-4-chloro-1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]benzene
SMILESCN(CCCO)S(=O)(=O)Nc1ccc(Cl)cc1Br
InChIInChI=1S/C10H14BrClN2O3S/c1-14(5-2-6-15)18(16,17)13-10-4-3-8(12)7-9(10)11/h3-4,7,13,15H,2,5-6H2,1H3
InChIKeyONZSYXZWMWRYDH-UHFFFAOYSA-N
XLogP2.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.66
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-chloro-1-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]benzene
CID 106073444
methyl 3-[(2-bromo-4-chlorophenyl)sulfamoyl-methylamino]propanoate
CID 81264072
1,3-dichloro-5-[[3-hydroxypropyl(methyl)sulfamoyl]amino]benzene
CID 114132444
1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-2,4-dimethylbenzene
CID 114132823
1-chloro-2-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-4-iodobenzene
CID 114261610
2-bromo-4-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-1-methylbenzene
CID 114134965
4-chloro-1-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]benzene
CID 106031151
2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,4-dibromobenzene
CID 106007389
2-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-bromo-1-chlorobenzene
CID 114141037
3-(2-bromo-4-chloroanilino)propan-1-ol
CID 80979319
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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]benzene?
The IUPAC name of 2-bromo-4-chloro-1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]benzene (CID 114135273) is 2-bromo-4-chloro-1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]benzene.
What is the SMILES notation for 2-bromo-4-chloro-1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]benzene?
The canonical SMILES for 2-bromo-4-chloro-1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]benzene is CN(CCCO)S(=O)(=O)Nc1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]benzene?
The InChIKey is ONZSYXZWMWRYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrClN2O3S/c1-14(5-2-6-15)18(16,17)13-10-4-3-8(12)7-9(10)11/h3-4,7,13,15H,2,5-6H2,1H3.
What are the key properties of 2-bromo-4-chloro-1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]benzene?
2-bromo-4-chloro-1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]benzene has a molecular weight of 357.66 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]benzene is sourced from PubChem (CID 114135273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).