disodium;N-[2-(2-aminoethylamino)ethyl]-4-methylbenzenesulfonamide;hydride

C11H21N3Na2O2S — CID 174270268

IUPACdisodium;N-[2-(2-aminoethylamino)ethyl]-4-methylbenzenesulfonamide;hydride
SMILESCc1ccc(S(=O)(=O)NCCNCCN)cc1.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C11H19N3O2S.2Na.2H/c1-10-2-4-11(5-3-10)17(15,16)14-9-8-13-7-6-12;;;;/h2-5,13-14H,6-9,12H2,1H3;;;;/q;2*+1;2*-1
InChIKeyIFSZGJIKBLCIIO-UHFFFAOYSA-N
MW305.35 g/mol
LogP-5.95
Rot. Bonds7

About disodium;N-[2-(2-aminoethylamino)ethyl]-4-methylbenzenesulfonamide;hydride

disodium;N-[2-(2-aminoethylamino)ethyl]-4-methylbenzenesulfonamide;hydride (PubChem CID 174270268) has the molecular formula C11H21N3Na2O2S and a molecular weight of 305.35 g/mol. Its IUPAC name is disodium;N-[2-(2-aminoethylamino)ethyl]-4-methylbenzenesulfonamide;hydride.

Molecular Properties

Compound Namedisodium;N-[2-(2-aminoethylamino)ethyl]-4-methylbenzenesulfonamide;hydride
PubChem CID174270268
Molecular FormulaC11H21N3Na2O2S
Molecular Weight305.35 g/mol
Exact Mass305.11
IUPAC Namedisodium;N-[2-(2-aminoethylamino)ethyl]-4-methylbenzenesulfonamide;hydride
SMILESCc1ccc(S(=O)(=O)NCCNCCN)cc1.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C11H19N3O2S.2Na.2H/c1-10-2-4-11(5-3-10)17(15,16)14-9-8-13-7-6-12;;;;/h2-5,13-14H,6-9,12H2,1H3;;;;/q;2*+1;2*-1
InChIKeyIFSZGJIKBLCIIO-UHFFFAOYSA-N
XLogP-5.95
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 5-5.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-4-methylbenzenesulfonamide;hydrochloride
CID 42943458
4-methyl-N-[3-[2-[3-[(4-methylphenyl)sulfonylamino]propylamino]ethylamino]propyl]benzenesulfonamide
CID 10917846
N-(4-aminobutyl)-4-methylbenzenesulfonamide;hydrochloride
CID 120583806
4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316
4-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 12673073
N-(4-fluorobutyl)-4-methylbenzenesulfonamide
CID 10933762
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 31836630
N-[2-[2-aminoethyl-[2-[bis[2-[bis[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]-4-methylbenzenesulfonamide
CID 88938847
7-amino-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]heptanamide
CID 119704157
4-methyl-N-[6-[(4-methylphenyl)sulfonylamino]hex-3-ynyl]benzenesulfonamide
CID 100943896
N-(2-aminoethyl)-4-ethylbenzenesulfonamide
CID 28753957
4-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 14069626

Frequently Asked Questions

What is the IUPAC name of disodium;N-[2-(2-aminoethylamino)ethyl]-4-methylbenzenesulfonamide;hydride?
The IUPAC name of disodium;N-[2-(2-aminoethylamino)ethyl]-4-methylbenzenesulfonamide;hydride (CID 174270268) is disodium;N-[2-(2-aminoethylamino)ethyl]-4-methylbenzenesulfonamide;hydride.
What is the SMILES notation for disodium;N-[2-(2-aminoethylamino)ethyl]-4-methylbenzenesulfonamide;hydride?
The canonical SMILES for disodium;N-[2-(2-aminoethylamino)ethyl]-4-methylbenzenesulfonamide;hydride is Cc1ccc(S(=O)(=O)NCCNCCN)cc1.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;N-[2-(2-aminoethylamino)ethyl]-4-methylbenzenesulfonamide;hydride?
The InChIKey is IFSZGJIKBLCIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S.2Na.2H/c1-10-2-4-11(5-3-10)17(15,16)14-9-8-13-7-6-12;;;;/h2-5,13-14H,6-9,12H2,1H3;;;;/q;2*+1;2*-1.
What are the key properties of disodium;N-[2-(2-aminoethylamino)ethyl]-4-methylbenzenesulfonamide;hydride?
disodium;N-[2-(2-aminoethylamino)ethyl]-4-methylbenzenesulfonamide;hydride has a molecular weight of 305.35 g/mol, XLogP of -5.95, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;N-[2-(2-aminoethylamino)ethyl]-4-methylbenzenesulfonamide;hydride is sourced from PubChem (CID 174270268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).