5-amino-N-[2-(methanesulfonamido)ethyl]-2-methoxybenzenesulfonamide

C10H17N3O5S2 — CID 43545898

IUPAC5-amino-N-[2-(methanesulfonamido)ethyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(N)cc1S(=O)(=O)NCCNS(C)(=O)=O
InChIInChI=1S/C10H17N3O5S2/c1-18-9-4-3-8(11)7-10(9)20(16,17)13-6-5-12-19(2,14)15/h3-4,7,12-13H,5-6,11H2,1-2H3
InChIKeyXJBXYUKBJDEJCZ-UHFFFAOYSA-N
MW323.40 g/mol
LogP-0.90
Rot. Bonds7

About 5-amino-N-[2-(methanesulfonamido)ethyl]-2-methoxybenzenesulfonamide

5-amino-N-[2-(methanesulfonamido)ethyl]-2-methoxybenzenesulfonamide (PubChem CID 43545898) has the molecular formula C10H17N3O5S2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 5-amino-N-[2-(methanesulfonamido)ethyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-[2-(methanesulfonamido)ethyl]-2-methoxybenzenesulfonamide
PubChem CID43545898
Molecular FormulaC10H17N3O5S2
Molecular Weight323.40 g/mol
Exact Mass323.06
IUPAC Name5-amino-N-[2-(methanesulfonamido)ethyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(N)cc1S(=O)(=O)NCCNS(C)(=O)=O
InChIInChI=1S/C10H17N3O5S2/c1-18-9-4-3-8(11)7-10(9)20(16,17)13-6-5-12-19(2,14)15/h3-4,7,12-13H,5-6,11H2,1-2H3
InChIKeyXJBXYUKBJDEJCZ-UHFFFAOYSA-N
XLogP-0.90
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 5-0.90
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

methyl 3-[(5-amino-2-methoxyphenyl)sulfonylamino]propanoate
CID 43665927
5-amino-N-(3-hydroxybutyl)-2-methoxybenzenesulfonamide
CID 64928024
5-amino-2-methoxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 62635958
5-amino-2-methoxy-N-(5-methylhexyl)benzenesulfonamide
CID 115324528
5-amino-2-methoxy-N-prop-2-ynylbenzenesulfonamide
CID 61113453
5-amino-N-(3-hydroxy-4-methoxybutyl)-2-methoxybenzenesulfonamide
CID 106242625
5-amino-N-hex-5-ynyl-2-methoxybenzenesulfonamide
CID 106208472
5-amino-2-methoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 29033942
5-amino-N-(2,2-dimethylbutyl)-2-methoxybenzenesulfonamide
CID 103460090
5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxybenzenesulfonamide
CID 106034891
5-amino-2-methoxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61459711
N-[2-(4-aminophenyl)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 120715614

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(methanesulfonamido)ethyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-amino-N-[2-(methanesulfonamido)ethyl]-2-methoxybenzenesulfonamide (CID 43545898) is 5-amino-N-[2-(methanesulfonamido)ethyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-amino-N-[2-(methanesulfonamido)ethyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-amino-N-[2-(methanesulfonamido)ethyl]-2-methoxybenzenesulfonamide is COc1ccc(N)cc1S(=O)(=O)NCCNS(C)(=O)=O.
What is the InChIKey of 5-amino-N-[2-(methanesulfonamido)ethyl]-2-methoxybenzenesulfonamide?
The InChIKey is XJBXYUKBJDEJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O5S2/c1-18-9-4-3-8(11)7-10(9)20(16,17)13-6-5-12-19(2,14)15/h3-4,7,12-13H,5-6,11H2,1-2H3.
What are the key properties of 5-amino-N-[2-(methanesulfonamido)ethyl]-2-methoxybenzenesulfonamide?
5-amino-N-[2-(methanesulfonamido)ethyl]-2-methoxybenzenesulfonamide has a molecular weight of 323.40 g/mol, XLogP of -0.90, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(methanesulfonamido)ethyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 43545898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).