4-ethoxy-N-[5-(3-methylbutylamino)-2-pyridinyl]benzenesulfonamide

C18H25N3O3S — CID 113030370

IUPAC4-ethoxy-N-[5-(3-methylbutylamino)-2-pyridinyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(NCCC(C)C)cn2)cc1
InChIInChI=1S/C18H25N3O3S/c1-4-24-16-6-8-17(9-7-16)25(22,23)21-18-10-5-15(13-20-18)19-12-11-14(2)3/h5-10,13-14,19H,4,11-12H2,1-3H3,(H,20,21)
InChIKeyICEGNZBHMIWAMC-UHFFFAOYSA-N
MW363.48 g/mol
LogP3.74
Rot. Bonds9

About 4-ethoxy-N-[5-(3-methylbutylamino)-2-pyridinyl]benzenesulfonamide

4-ethoxy-N-[5-(3-methylbutylamino)-2-pyridinyl]benzenesulfonamide (PubChem CID 113030370) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is 4-ethoxy-N-[5-(3-methylbutylamino)-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[5-(3-methylbutylamino)-2-pyridinyl]benzenesulfonamide
PubChem CID113030370
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC Name4-ethoxy-N-[5-(3-methylbutylamino)-2-pyridinyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(NCCC(C)C)cn2)cc1
InChIInChI=1S/C18H25N3O3S/c1-4-24-16-6-8-17(9-7-16)25(22,23)21-18-10-5-15(13-20-18)19-12-11-14(2)3/h5-10,13-14,19H,4,11-12H2,1-3H3,(H,20,21)
InChIKeyICEGNZBHMIWAMC-UHFFFAOYSA-N
XLogP3.74
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[5-(3-methylbutylamino)-2-pyridinyl]benzenesulfonamide
CID 113030332
N-[5-(butylamino)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide
CID 113024078
N-[5-(cyclopentylamino)-2-pyridinyl]-4-ethoxybenzenesulfonamide
CID 113024551
N-[5-(3-methylbutylamino)-2-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113030339
N-[5-(3,5-dimethylanilino)-2-pyridinyl]-4-ethoxybenzenesulfonamide
CID 113032235
N-[4-[[6-(3-methylbutylamino)-3-pyridinyl]sulfamoyl]phenyl]acetamide
CID 113015172
N-[4-(3-methylbutylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide
CID 112985174
N-[5-(2,4-dimethylanilino)-2-pyridinyl]-4-ethoxybenzenesulfonamide
CID 113032010
5-methyl-N-[5-(3-methylbutylamino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113030356
4-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
CID 848328
4-bromo-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide
CID 113023499
N-[5-(butylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide
CID 113024035

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[5-(3-methylbutylamino)-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[5-(3-methylbutylamino)-2-pyridinyl]benzenesulfonamide (CID 113030370) is 4-ethoxy-N-[5-(3-methylbutylamino)-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[5-(3-methylbutylamino)-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[5-(3-methylbutylamino)-2-pyridinyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccc(NCCC(C)C)cn2)cc1.
What is the InChIKey of 4-ethoxy-N-[5-(3-methylbutylamino)-2-pyridinyl]benzenesulfonamide?
The InChIKey is ICEGNZBHMIWAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-4-24-16-6-8-17(9-7-16)25(22,23)21-18-10-5-15(13-20-18)19-12-11-14(2)3/h5-10,13-14,19H,4,11-12H2,1-3H3,(H,20,21).
What are the key properties of 4-ethoxy-N-[5-(3-methylbutylamino)-2-pyridinyl]benzenesulfonamide?
4-ethoxy-N-[5-(3-methylbutylamino)-2-pyridinyl]benzenesulfonamide has a molecular weight of 363.48 g/mol, XLogP of 3.74, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[5-(3-methylbutylamino)-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113030370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).