N-[5-(butylamino)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide

C18H25N3O3S — CID 113024078

IUPACN-[5-(butylamino)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCCCCNc1ccc(NS(=O)(=O)c2ccc(OC(C)C)cc2)nc1
InChIInChI=1S/C18H25N3O3S/c1-4-5-12-19-15-6-11-18(20-13-15)21-25(22,23)17-9-7-16(8-10-17)24-14(2)3/h6-11,13-14,19H,4-5,12H2,1-3H3,(H,20,21)
InChIKeyNMZHRGLARDIDQP-UHFFFAOYSA-N
MW363.48 g/mol
LogP3.88
Rot. Bonds9

About N-[5-(butylamino)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide

N-[5-(butylamino)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide (PubChem CID 113024078) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-[5-(butylamino)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(butylamino)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide
PubChem CID113024078
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC NameN-[5-(butylamino)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCCCCNc1ccc(NS(=O)(=O)c2ccc(OC(C)C)cc2)nc1
InChIInChI=1S/C18H25N3O3S/c1-4-5-12-19-15-6-11-18(20-13-15)21-25(22,23)17-9-7-16(8-10-17)24-14(2)3/h6-11,13-14,19H,4-5,12H2,1-3H3,(H,20,21)
InChIKeyNMZHRGLARDIDQP-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(butylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide
CID 112980319
N-[5-(butylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide
CID 113024035
4-chloro-N-[5-(pentylamino)-2-pyridinyl]benzenesulfonamide
CID 113030458
4-ethoxy-N-[5-(3-methylbutylamino)-2-pyridinyl]benzenesulfonamide
CID 113030370
N-[5-(cyclopentylamino)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide
CID 113024552
N-[5-(butylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113024046
4-bromo-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide
CID 113023499
4-(butylamino)-N-propan-2-ylbenzenesulfonamide
CID 43383407
N-[4-(3-methylbutylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide
CID 112985174
N-[6-(furan-2-ylmethylamino)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide
CID 113011417
4-chloro-N-[5-(3-methylbutylamino)-2-pyridinyl]benzenesulfonamide
CID 113030332
2,4-dimethoxy-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide
CID 113023515

Frequently Asked Questions

What is the IUPAC name of N-[5-(butylamino)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of N-[5-(butylamino)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide (CID 113024078) is N-[5-(butylamino)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for N-[5-(butylamino)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for N-[5-(butylamino)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide is CCCCNc1ccc(NS(=O)(=O)c2ccc(OC(C)C)cc2)nc1.
What is the InChIKey of N-[5-(butylamino)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is NMZHRGLARDIDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-4-5-12-19-15-6-11-18(20-13-15)21-25(22,23)17-9-7-16(8-10-17)24-14(2)3/h6-11,13-14,19H,4-5,12H2,1-3H3,(H,20,21).
What are the key properties of N-[5-(butylamino)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide?
N-[5-(butylamino)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 363.48 g/mol, XLogP of 3.88, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(butylamino)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 113024078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).