N-(3-aminopropyl)-2,5-dibromo-N-methylbenzenesulfonamide

C10H14Br2N2O2S — CID 113285756

IUPACN-(3-aminopropyl)-2,5-dibromo-N-methylbenzenesulfonamide
SMILESCN(CCCN)S(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C10H14Br2N2O2S/c1-14(6-2-5-13)17(15,16)10-7-8(11)3-4-9(10)12/h3-4,7H,2,5-6,13H2,1H3
InChIKeyXXGHKEVPZSBGFD-UHFFFAOYSA-N
MW386.11 g/mol
LogP2.18
Rot. Bonds5

About N-(3-aminopropyl)-2,5-dibromo-N-methylbenzenesulfonamide

N-(3-aminopropyl)-2,5-dibromo-N-methylbenzenesulfonamide (PubChem CID 113285756) has the molecular formula C10H14Br2N2O2S and a molecular weight of 386.11 g/mol. Its IUPAC name is N-(3-aminopropyl)-2,5-dibromo-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2,5-dibromo-N-methylbenzenesulfonamide
PubChem CID113285756
Molecular FormulaC10H14Br2N2O2S
Molecular Weight386.11 g/mol
Exact Mass383.91
IUPAC NameN-(3-aminopropyl)-2,5-dibromo-N-methylbenzenesulfonamide
SMILESCN(CCCN)S(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C10H14Br2N2O2S/c1-14(6-2-5-13)17(15,16)10-7-8(11)3-4-9(10)12/h3-4,7H,2,5-6,13H2,1H3
InChIKeyXXGHKEVPZSBGFD-UHFFFAOYSA-N
XLogP2.18
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.11
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dibromo-N-butyl-N-methylbenzenesulfonamide
CID 43845506
2,5-dibromo-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide
CID 63700203
2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,4-dibromobenzene
CID 106007389
3-[(2,5-dibromophenyl)sulfonyl-methylamino]propanethioamide
CID 43120155
N-(3-aminopropyl)-2-bromo-4-fluoro-N-methylbenzenesulfonamide
CID 115318995
N-(3-aminopropyl)-4-bromo-3-fluoro-N-methylbenzenesulfonamide
CID 103829034
N-(2-aminoethyl)-2-bromo-N-methylbenzenesulfonamide
CID 62688610
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-bromo-2-fluorobenzene
CID 114141108
5-amino-2-bromo-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide
CID 65207033
5-bromo-N-butyl-N-methyl-2-nitrobenzenesulfonamide
CID 54902614
2-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-bromo-1-chlorobenzene
CID 114141037
2,4-dibromo-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 47305772

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2,5-dibromo-N-methylbenzenesulfonamide?
The IUPAC name of N-(3-aminopropyl)-2,5-dibromo-N-methylbenzenesulfonamide (CID 113285756) is N-(3-aminopropyl)-2,5-dibromo-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-2,5-dibromo-N-methylbenzenesulfonamide?
The canonical SMILES for N-(3-aminopropyl)-2,5-dibromo-N-methylbenzenesulfonamide is CN(CCCN)S(=O)(=O)c1cc(Br)ccc1Br.
What is the InChIKey of N-(3-aminopropyl)-2,5-dibromo-N-methylbenzenesulfonamide?
The InChIKey is XXGHKEVPZSBGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Br2N2O2S/c1-14(6-2-5-13)17(15,16)10-7-8(11)3-4-9(10)12/h3-4,7H,2,5-6,13H2,1H3.
What are the key properties of N-(3-aminopropyl)-2,5-dibromo-N-methylbenzenesulfonamide?
N-(3-aminopropyl)-2,5-dibromo-N-methylbenzenesulfonamide has a molecular weight of 386.11 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2,5-dibromo-N-methylbenzenesulfonamide is sourced from PubChem (CID 113285756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).