6-[4-(methanesulfonamido)phenyl]sulfanyl-N-prop-2-enylpyridine-3-carboxamide

C16H17N3O3S2 — CID 46388193

IUPAC6-[4-(methanesulfonamido)phenyl]sulfanyl-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(Sc2ccc(NS(C)(=O)=O)cc2)nc1
InChIInChI=1S/C16H17N3O3S2/c1-3-10-17-16(20)12-4-9-15(18-11-12)23-14-7-5-13(6-8-14)19-24(2,21)22/h3-9,11,19H,1,10H2,2H3,(H,17,20)
InChIKeyBDKXUYVRCVMULS-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.52
Rot. Bonds7

About 6-[4-(methanesulfonamido)phenyl]sulfanyl-N-prop-2-enylpyridine-3-carboxamide

6-[4-(methanesulfonamido)phenyl]sulfanyl-N-prop-2-enylpyridine-3-carboxamide (PubChem CID 46388193) has the molecular formula C16H17N3O3S2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 6-[4-(methanesulfonamido)phenyl]sulfanyl-N-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(methanesulfonamido)phenyl]sulfanyl-N-prop-2-enylpyridine-3-carboxamide
PubChem CID46388193
Molecular FormulaC16H17N3O3S2
Molecular Weight363.46 g/mol
Exact Mass363.07
IUPAC Name6-[4-(methanesulfonamido)phenyl]sulfanyl-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(Sc2ccc(NS(C)(=O)=O)cc2)nc1
InChIInChI=1S/C16H17N3O3S2/c1-3-10-17-16(20)12-4-9-15(18-11-12)23-14-7-5-13(6-8-14)19-24(2,21)22/h3-9,11,19H,1,10H2,2H3,(H,17,20)
InChIKeyBDKXUYVRCVMULS-UHFFFAOYSA-N
XLogP2.52
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(methanesulfonamido)phenyl]sulfanyl-N-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of 6-[4-(methanesulfonamido)phenyl]sulfanyl-N-prop-2-enylpyridine-3-carboxamide (CID 46388193) is 6-[4-(methanesulfonamido)phenyl]sulfanyl-N-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(methanesulfonamido)phenyl]sulfanyl-N-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for 6-[4-(methanesulfonamido)phenyl]sulfanyl-N-prop-2-enylpyridine-3-carboxamide is C=CCNC(=O)c1ccc(Sc2ccc(NS(C)(=O)=O)cc2)nc1.
What is the InChIKey of 6-[4-(methanesulfonamido)phenyl]sulfanyl-N-prop-2-enylpyridine-3-carboxamide?
The InChIKey is BDKXUYVRCVMULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S2/c1-3-10-17-16(20)12-4-9-15(18-11-12)23-14-7-5-13(6-8-14)19-24(2,21)22/h3-9,11,19H,1,10H2,2H3,(H,17,20).
What are the key properties of 6-[4-(methanesulfonamido)phenyl]sulfanyl-N-prop-2-enylpyridine-3-carboxamide?
6-[4-(methanesulfonamido)phenyl]sulfanyl-N-prop-2-enylpyridine-3-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(methanesulfonamido)phenyl]sulfanyl-N-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 46388193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).