4-(2-aminoethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide

C11H19N3O4S2 — CID 79185763

IUPAC4-(2-aminoethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
SMILESCS(=O)(=O)NCCNS(=O)(=O)c1ccc(CCN)cc1
InChIInChI=1S/C11H19N3O4S2/c1-19(15,16)13-8-9-14-20(17,18)11-4-2-10(3-5-11)6-7-12/h2-5,13-14H,6-9,12H2,1H3
InChIKeyDPVNXHDNNJMJAH-UHFFFAOYSA-N
MW321.42 g/mol
LogP-0.98
Rot. Bonds8

About 4-(2-aminoethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide

4-(2-aminoethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide (PubChem CID 79185763) has the molecular formula C11H19N3O4S2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
PubChem CID79185763
Molecular FormulaC11H19N3O4S2
Molecular Weight321.42 g/mol
Exact Mass321.08
IUPAC Name4-(2-aminoethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
SMILESCS(=O)(=O)NCCNS(=O)(=O)c1ccc(CCN)cc1
InChIInChI=1S/C11H19N3O4S2/c1-19(15,16)13-8-9-14-20(17,18)11-4-2-10(3-5-11)6-7-12/h2-5,13-14H,6-9,12H2,1H3
InChIKeyDPVNXHDNNJMJAH-UHFFFAOYSA-N
XLogP-0.98
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43545911
4-(2-aminoethyl)-N-ethylbenzenesulfonamide
CID 16643231
4-hydrazinyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43546298
N-(3-aminopropyl)-4-propylbenzenesulfonamide
CID 43605819
4-(3-aminopropyl)-N-butylbenzenesulfonamide
CID 28807103
N-(2-aminoethyl)-4-ethylbenzenesulfonamide
CID 28753957
4-(1-aminoethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43546293
4-(2-aminoethyl)-N',N'-dimethylbenzenesulfonohydrazide
CID 83014637
4-[4-(2-aminoethyl)phenyl]-N-methylbenzenesulfonamide
CID 171387358
2-(4-methylsulfonylphenyl)ethanamine chloride
CID 20849935
N-(3-aminopropyl)-4-ethylbenzenesulfonamide
CID 28754062
4-(1-hydroxyethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43546344

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide?
The IUPAC name of 4-(2-aminoethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide (CID 79185763) is 4-(2-aminoethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide?
The canonical SMILES for 4-(2-aminoethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide is CS(=O)(=O)NCCNS(=O)(=O)c1ccc(CCN)cc1.
What is the InChIKey of 4-(2-aminoethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide?
The InChIKey is DPVNXHDNNJMJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S2/c1-19(15,16)13-8-9-14-20(17,18)11-4-2-10(3-5-11)6-7-12/h2-5,13-14H,6-9,12H2,1H3.
What are the key properties of 4-(2-aminoethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide?
4-(2-aminoethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide has a molecular weight of 321.42 g/mol, XLogP of -0.98, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide is sourced from PubChem (CID 79185763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).