4-butoxy-N-pyridin-3-ylbenzenesulfonamide

C15H18N2O3S — CID 3239781

IUPAC4-butoxy-N-pyridin-3-ylbenzenesulfonamide
SMILESCCCCOc1ccc(S(=O)(=O)Nc2cccnc2)cc1
InChIInChI=1S/C15H18N2O3S/c1-2-3-11-20-14-6-8-15(9-7-14)21(18,19)17-13-5-4-10-16-12-13/h4-10,12,17H,2-3,11H2,1H3
InChIKeyCRDWYIKYCUCPDM-UHFFFAOYSA-N
MW306.39 g/mol
LogP3.06
Rot. Bonds7

About 4-butoxy-N-pyridin-3-ylbenzenesulfonamide

4-butoxy-N-pyridin-3-ylbenzenesulfonamide (PubChem CID 3239781) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-butoxy-N-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-butoxy-N-pyridin-3-ylbenzenesulfonamide
PubChem CID3239781
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name4-butoxy-N-pyridin-3-ylbenzenesulfonamide
SMILESCCCCOc1ccc(S(=O)(=O)Nc2cccnc2)cc1
InChIInChI=1S/C15H18N2O3S/c1-2-3-11-20-14-6-8-15(9-7-14)21(18,19)17-13-5-4-10-16-12-13/h4-10,12,17H,2-3,11H2,1H3
InChIKeyCRDWYIKYCUCPDM-UHFFFAOYSA-N
XLogP3.06
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-butoxy-N-pyridin-3-ylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Phenoxy-3-pyridinamine
CID 212856
Acetamide, N-hydroxy-2-[[(4-methoxyphenyl)sulfonyl](3-pyridinylmethyl)amino]-
CID 10545870
N-hydroxy-2-[(4-methoxybenzene)(pyridin-2-ylmethyl)sulfonamido]acetamide
CID 10760373
N-Hydroxy-N~2~-[(4-Methoxyphenyl)sulfonyl]-N~2~-(Pyridin-4-Ylmethyl)glycinamide
CID 10831751
4-Chloro-3-methoxy-N-pyridin-3-yl-benzenesulfonamide
CID 609536
4-methoxy-N-[2-(4-pyridinyl)ethyl]benzenesulfonamide
CID 688003
1-[(4-Methoxyphenyl)sulfonyl]-4-(3-pyridylmethyl)piperazine
CID 828758
3,4-Dimethoxy-N-pyridin-3-yl-benzenesulfonamide
CID 778317
4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 809740
4-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 676047
4-ethoxy-N-pyridin-3-ylbenzenesulfonamide
CID 729504
1-[(4-methoxyphenyl)sulfonyl]-1H-pyrrole
CID 831626

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-pyridin-3-ylbenzenesulfonamide?
The IUPAC name of 4-butoxy-N-pyridin-3-ylbenzenesulfonamide (CID 3239781) is 4-butoxy-N-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-butoxy-N-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for 4-butoxy-N-pyridin-3-ylbenzenesulfonamide is CCCCOc1ccc(S(=O)(=O)Nc2cccnc2)cc1.
What is the InChIKey of 4-butoxy-N-pyridin-3-ylbenzenesulfonamide?
The InChIKey is CRDWYIKYCUCPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-2-3-11-20-14-6-8-15(9-7-14)21(18,19)17-13-5-4-10-16-12-13/h4-10,12,17H,2-3,11H2,1H3.
What are the key properties of 4-butoxy-N-pyridin-3-ylbenzenesulfonamide?
4-butoxy-N-pyridin-3-ylbenzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-pyridin-3-ylbenzenesulfonamide is sourced from PubChem (CID 3239781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).