4-amino-3-[2-(methanesulfonamido)ethylamino]-N,N-dimethylbenzenesulfonamide

C11H20N4O4S2 — CID 82899992

IUPAC4-amino-3-[2-(methanesulfonamido)ethylamino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(N)c(NCCNS(C)(=O)=O)c1
InChIInChI=1S/C11H20N4O4S2/c1-15(2)21(18,19)9-4-5-10(12)11(8-9)13-6-7-14-20(3,16)17/h4-5,8,13-14H,6-7,12H2,1-3H3
InChIKeyYSGPCEJIRAHPEH-UHFFFAOYSA-N
MW336.44 g/mol
LogP-0.52
Rot. Bonds7

About 4-amino-3-[2-(methanesulfonamido)ethylamino]-N,N-dimethylbenzenesulfonamide

4-amino-3-[2-(methanesulfonamido)ethylamino]-N,N-dimethylbenzenesulfonamide (PubChem CID 82899992) has the molecular formula C11H20N4O4S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 4-amino-3-[2-(methanesulfonamido)ethylamino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-[2-(methanesulfonamido)ethylamino]-N,N-dimethylbenzenesulfonamide
PubChem CID82899992
Molecular FormulaC11H20N4O4S2
Molecular Weight336.44 g/mol
Exact Mass336.09
IUPAC Name4-amino-3-[2-(methanesulfonamido)ethylamino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(N)c(NCCNS(C)(=O)=O)c1
InChIInChI=1S/C11H20N4O4S2/c1-15(2)21(18,19)9-4-5-10(12)11(8-9)13-6-7-14-20(3,16)17/h4-5,8,13-14H,6-7,12H2,1-3H3
InChIKeyYSGPCEJIRAHPEH-UHFFFAOYSA-N
XLogP-0.52
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-(2-hydroxyethylamino)-N,N-dimethylbenzenesulfonamide
CID 82899068
4-amino-N,N-dimethyl-3-(pentylamino)benzenesulfonamide
CID 82899819
4-amino-3-[2-(diethylamino)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 82900124
4-amino-3-(3-methoxypropylamino)-N,N-dimethylbenzenesulfonamide
CID 82898353
4-amino-3-[(2-hydroxy-2-methylpropyl)amino]-N,N-dimethylbenzenesulfonamide
CID 82900510
4-amino-N,N-dimethyl-3-(3-propoxypropylamino)benzenesulfonamide
CID 82942122
3-amino-4-(2-aminoethylamino)-N,N-dimethylbenzenesulfonamide
CID 62483234
4-amino-3-(3-ethylpentan-3-ylamino)-N,N-dimethylbenzenesulfonamide
CID 82902002
4-amino-3-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylbenzenesulfonamide
CID 82902467
4-amino-N,N-dimethyl-3-(1,2-oxazol-3-ylmethylamino)benzenesulfonamide
CID 82900882
4-amino-3-[2-(dimethylamino)ethylamino]benzenesulfonamide
CID 82907605
4-amino-N,N-dimethyl-3-(oxan-3-ylmethylamino)benzenesulfonamide
CID 82899863

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[2-(methanesulfonamido)ethylamino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-amino-3-[2-(methanesulfonamido)ethylamino]-N,N-dimethylbenzenesulfonamide (CID 82899992) is 4-amino-3-[2-(methanesulfonamido)ethylamino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-amino-3-[2-(methanesulfonamido)ethylamino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-amino-3-[2-(methanesulfonamido)ethylamino]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(N)c(NCCNS(C)(=O)=O)c1.
What is the InChIKey of 4-amino-3-[2-(methanesulfonamido)ethylamino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is YSGPCEJIRAHPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O4S2/c1-15(2)21(18,19)9-4-5-10(12)11(8-9)13-6-7-14-20(3,16)17/h4-5,8,13-14H,6-7,12H2,1-3H3.
What are the key properties of 4-amino-3-[2-(methanesulfonamido)ethylamino]-N,N-dimethylbenzenesulfonamide?
4-amino-3-[2-(methanesulfonamido)ethylamino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 336.44 g/mol, XLogP of -0.52, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[2-(methanesulfonamido)ethylamino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 82899992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).