2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,4-dibromobenzene

C10H15Br2N3O2S — CID 106007389

IUPAC2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,4-dibromobenzene
SMILESCN(CCCN)S(=O)(=O)Nc1cc(Br)ccc1Br
InChIInChI=1S/C10H15Br2N3O2S/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
InChIKeyNURUXQQBJRWDAV-UHFFFAOYSA-N
MW401.12 g/mol
LogP2.15
Rot. Bonds6

About 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,4-dibromobenzene

2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,4-dibromobenzene (PubChem CID 106007389) has the molecular formula C10H15Br2N3O2S and a molecular weight of 401.12 g/mol. Its IUPAC name is 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,4-dibromobenzene.

Molecular Properties

Compound Name2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,4-dibromobenzene
PubChem CID106007389
Molecular FormulaC10H15Br2N3O2S
Molecular Weight401.12 g/mol
Exact Mass398.93
IUPAC Name2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,4-dibromobenzene
SMILESCN(CCCN)S(=O)(=O)Nc1cc(Br)ccc1Br
InChIInChI=1S/C10H15Br2N3O2S/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
InChIKeyNURUXQQBJRWDAV-UHFFFAOYSA-N
XLogP2.15
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.12
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-bromo-1-chlorobenzene
CID 114141037
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-bromo-2-fluorobenzene
CID 114141108
2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-bromo-4-iodobenzene
CID 114261617
4-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-bromopyridine
CID 106076050
N-(3-aminopropyl)-2,5-dibromo-N-methylbenzenesulfonamide
CID 113285756
4-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-bromo-2-(trifluoromethyl)benzene
CID 106003250
4-bromo-1-chloro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
CID 106056678
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2,3,4-trifluorobenzene
CID 61456312
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methoxybenzene
CID 54952343
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-fluoro-2-iodobenzene
CID 114261612
3-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methylpyridine
CID 79042089
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-3,5-dichlorobenzene
CID 106058979

Frequently Asked Questions

What is the IUPAC name of 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,4-dibromobenzene?
The IUPAC name of 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,4-dibromobenzene (CID 106007389) is 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,4-dibromobenzene.
What is the SMILES notation for 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,4-dibromobenzene?
The canonical SMILES for 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,4-dibromobenzene is CN(CCCN)S(=O)(=O)Nc1cc(Br)ccc1Br.
What is the InChIKey of 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,4-dibromobenzene?
The InChIKey is NURUXQQBJRWDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Br2N3O2S/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]-1,4-dibromobenzene?
2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,4-dibromobenzene has a molecular weight of 401.12 g/mol, XLogP of 2.15, 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]-1,4-dibromobenzene is sourced from PubChem (CID 106007389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).