5-amino-2-ethoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide

C14H17N3O3S — CID 107585840

IUPAC5-amino-2-ethoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide
SMILESCCOc1ccc(N)cc1S(=O)(=O)Nc1cncc(C)c1
InChIInChI=1S/C14H17N3O3S/c1-3-20-13-5-4-11(15)7-14(13)21(18,19)17-12-6-10(2)8-16-9-12/h4-9,17H,3,15H2,1-2H3
InChIKeyDLMXKYDMHVTEJD-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.17
Rot. Bonds5

About 5-amino-2-ethoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide

5-amino-2-ethoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide (PubChem CID 107585840) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 5-amino-2-ethoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-ethoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide
PubChem CID107585840
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name5-amino-2-ethoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide
SMILESCCOc1ccc(N)cc1S(=O)(=O)Nc1cncc(C)c1
InChIInChI=1S/C14H17N3O3S/c1-3-20-13-5-4-11(15)7-14(13)21(18,19)17-12-6-10(2)8-16-9-12/h4-9,17H,3,15H2,1-2H3
InChIKeyDLMXKYDMHVTEJD-UHFFFAOYSA-N
XLogP2.17
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-bromo-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584553
5-amino-2-fluoro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584501
5-amino-N-(3-bromophenyl)-2-ethoxybenzenesulfonamide
CID 43662937
5-amino-2-ethoxy-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 65482063
5-amino-2-[(5-methyl-3-pyridinyl)sulfamoyl]benzoic acid
CID 107584508
5-amino-2-methoxy-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587497
5-chloro-2-methoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 110727388
5-amino-N-(2,2-difluoroethyl)-2-ethoxybenzenesulfonamide
CID 113303848
5-amino-N-[2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide
CID 43662895
5-amino-N-butyl-2-ethoxybenzenesulfonamide
CID 43662916
3-amino-4-methoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584520
5-chloro-2-ethoxy-N-pyridin-3-ylbenzenesulfonamide
CID 9267841

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-ethoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-ethoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide (CID 107585840) is 5-amino-2-ethoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-ethoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-ethoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide is CCOc1ccc(N)cc1S(=O)(=O)Nc1cncc(C)c1.
What is the InChIKey of 5-amino-2-ethoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide?
The InChIKey is DLMXKYDMHVTEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-3-20-13-5-4-11(15)7-14(13)21(18,19)17-12-6-10(2)8-16-9-12/h4-9,17H,3,15H2,1-2H3.
What are the key properties of 5-amino-2-ethoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide?
5-amino-2-ethoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide has a molecular weight of 307.38 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-ethoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 107585840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).