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

C9H15N3O4S2 — CID 43545911

IUPAC4-amino-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
SMILESCS(=O)(=O)NCCNS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C9H15N3O4S2/c1-17(13,14)11-6-7-12-18(15,16)9-4-2-8(10)3-5-9/h2-5,11-12H,6-7,10H2,1H3
InChIKeyCFLBZOQCDKRMAK-UHFFFAOYSA-N
MW293.37 g/mol
LogP-0.90
Rot. Bonds6

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

4-amino-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide (PubChem CID 43545911) has the molecular formula C9H15N3O4S2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-amino-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
PubChem CID43545911
Molecular FormulaC9H15N3O4S2
Molecular Weight293.37 g/mol
Exact Mass293.05
IUPAC Name4-amino-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
SMILESCS(=O)(=O)NCCNS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C9H15N3O4S2/c1-17(13,14)11-6-7-12-18(15,16)9-4-2-8(10)3-5-9/h2-5,11-12H,6-7,10H2,1H3
InChIKeyCFLBZOQCDKRMAK-UHFFFAOYSA-N
XLogP-0.90
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(2-aminoethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 79185763
4-hydrazinyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43546298
4-(1-aminoethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43546293
4-amino-N-(2-bromoethyl)benzenesulfonamide
CID 125484136
4-amino-N-[2-[2-[(4-aminophenyl)sulfonylamino]ethylsulfonyl]ethyl]benzenesulfonamide
CID 141378845
4-amino-N-(3-phenylbutyl)benzenesulfonamide
CID 62986614
4-(1-hydroxyethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43546344
4-amino-N-octadecylbenzenesulfonamide;hydrochloride
CID 45050161
3-amino-N-[2-(methanesulfonamido)ethyl]-5-methylbenzenesulfonamide
CID 43545886
4-amino-N-ethylbenzenesulfonamide;molecular hydrogen
CID 143629087
4-amino-N-(5-hydroxypentyl)benzenesulfonamide
CID 107316374
4-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 60924583

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide?
The IUPAC name of 4-amino-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide (CID 43545911) is 4-amino-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide is CS(=O)(=O)NCCNS(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide?
The InChIKey is CFLBZOQCDKRMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4S2/c1-17(13,14)11-6-7-12-18(15,16)9-4-2-8(10)3-5-9/h2-5,11-12H,6-7,10H2,1H3.
What are the key properties of 4-amino-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide?
4-amino-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide has a molecular weight of 293.37 g/mol, XLogP of -0.90, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide is sourced from PubChem (CID 43545911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).