2-amino-4-(3-pyridin-4-ylpropoxy)benzenesulfonamide

C14H17N3O3S — CID 79467347

IUPAC2-amino-4-(3-pyridin-4-ylpropoxy)benzenesulfonamide
SMILESNc1cc(OCCCc2ccncc2)ccc1S(N)(=O)=O
InChIInChI=1S/C14H17N3O3S/c15-13-10-12(3-4-14(13)21(16,18)19)20-9-1-2-11-5-7-17-8-6-11/h3-8,10H,1-2,9,15H2,(H2,16,18,19)
InChIKeyMKQORFIIAFSVIQ-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.32
Rot. Bonds6

About 2-amino-4-(3-pyridin-4-ylpropoxy)benzenesulfonamide

2-amino-4-(3-pyridin-4-ylpropoxy)benzenesulfonamide (PubChem CID 79467347) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-amino-4-(3-pyridin-4-ylpropoxy)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-(3-pyridin-4-ylpropoxy)benzenesulfonamide
PubChem CID79467347
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name2-amino-4-(3-pyridin-4-ylpropoxy)benzenesulfonamide
SMILESNc1cc(OCCCc2ccncc2)ccc1S(N)(=O)=O
InChIInChI=1S/C14H17N3O3S/c15-13-10-12(3-4-14(13)21(16,18)19)20-9-1-2-11-5-7-17-8-6-11/h3-8,10H,1-2,9,15H2,(H2,16,18,19)
InChIKeyMKQORFIIAFSVIQ-UHFFFAOYSA-N
XLogP1.32
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-amino-5-(3-pyridin-4-ylpropoxy)benzamide
CID 61306005
4-(2-pyridin-4-ylethoxy)benzenesulfonamide
CID 82910996
2-amino-4-phenylmethoxybenzenesulfonamide
CID 79466915
2-amino-4-methoxy-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 60914928
[3-(3-pyridin-4-ylpropoxy)phenyl]methanamine
CID 102814568
[2-chloro-4-(3-pyridin-4-ylpropoxy)phenyl]methanamine
CID 62945709
[2-methyl-4-(3-pyridin-4-ylpropoxy)phenyl]methanamine
CID 81278633
2-nitro-5-(3-pyridin-4-ylpropoxy)benzamide
CID 146333511
[5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]methanamine
CID 113320443
2-methyl-4-(2-pyridin-3-ylethoxy)benzenesulfonamide
CID 82914505
[4-(3-pyridin-4-ylpropoxy)phenyl]urea
CID 143052287
2-amino-4-(2-methylpentoxy)benzenesulfonamide
CID 103282924

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-pyridin-4-ylpropoxy)benzenesulfonamide?
The IUPAC name of 2-amino-4-(3-pyridin-4-ylpropoxy)benzenesulfonamide (CID 79467347) is 2-amino-4-(3-pyridin-4-ylpropoxy)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-(3-pyridin-4-ylpropoxy)benzenesulfonamide?
The canonical SMILES for 2-amino-4-(3-pyridin-4-ylpropoxy)benzenesulfonamide is Nc1cc(OCCCc2ccncc2)ccc1S(N)(=O)=O.
What is the InChIKey of 2-amino-4-(3-pyridin-4-ylpropoxy)benzenesulfonamide?
The InChIKey is MKQORFIIAFSVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c15-13-10-12(3-4-14(13)21(16,18)19)20-9-1-2-11-5-7-17-8-6-11/h3-8,10H,1-2,9,15H2,(H2,16,18,19).
What are the key properties of 2-amino-4-(3-pyridin-4-ylpropoxy)benzenesulfonamide?
2-amino-4-(3-pyridin-4-ylpropoxy)benzenesulfonamide has a molecular weight of 307.38 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-pyridin-4-ylpropoxy)benzenesulfonamide is sourced from PubChem (CID 79467347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).