6-chloro-N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]pyridine-3-carboxamide

C16H18ClN3O4S — CID 2547899

IUPAC6-chloro-N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]pyridine-3-carboxamide
SMILESCOC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)nc2)cc1
InChIInChI=1S/C16H18ClN3O4S/c1-11(10-24-2)20-25(22,23)14-6-4-13(5-7-14)19-16(21)12-3-8-15(17)18-9-12/h3-9,11,20H,10H2,1-2H3,(H,19,21)/t11-/m0/s1
InChIKeyMPEUZOCXXZBWIX-NSHDSACASA-N
MW383.86 g/mol
LogP2.30
Rot. Bonds7

About 6-chloro-N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]pyridine-3-carboxamide

6-chloro-N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]pyridine-3-carboxamide (PubChem CID 2547899) has the molecular formula C16H18ClN3O4S and a molecular weight of 383.86 g/mol. Its IUPAC name is 6-chloro-N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]pyridine-3-carboxamide
PubChem CID2547899
Molecular FormulaC16H18ClN3O4S
Molecular Weight383.86 g/mol
Exact Mass383.07
IUPAC Name6-chloro-N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]pyridine-3-carboxamide
SMILESCOC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)nc2)cc1
InChIInChI=1S/C16H18ClN3O4S/c1-11(10-24-2)20-25(22,23)14-6-4-13(5-7-14)19-16(21)12-3-8-15(17)18-9-12/h3-9,11,20H,10H2,1-2H3,(H,19,21)/t11-/m0/s1
InChIKeyMPEUZOCXXZBWIX-NSHDSACASA-N
XLogP2.30
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.86
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(1-methoxypropan-2-ylsulfamoyl)-N-(4-sulfamoylphenyl)benzamide
CID 42909880
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-methylpyrazine-2-carboxamide
CID 47004794
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]pyridine-2-carboxamide
CID 4780813
4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-N-(4-propylphenyl)benzamide
CID 9294142
N-(3-chloro-4-fluorophenyl)-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide
CID 9165962
N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 670303
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-4-(trifluoromethylsulfanyl)benzamide
CID 46616213
5-bromo-2-chloro-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]benzamide
CID 42906818
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-2-methylbutanamide
CID 51331716
2,6-difluoro-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]benzamide
CID 78778266
4-(butan-2-ylsulfamoyl)-N-(4-chlorophenyl)benzamide
CID 46529057
N-(4-butan-2-ylphenyl)-6-chloropyridine-3-carboxamide
CID 4555488

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]pyridine-3-carboxamide (CID 2547899) is 6-chloro-N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]pyridine-3-carboxamide is COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)nc2)cc1.
What is the InChIKey of 6-chloro-N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]pyridine-3-carboxamide?
The InChIKey is MPEUZOCXXZBWIX-NSHDSACASA-N. The full InChI is InChI=1S/C16H18ClN3O4S/c1-11(10-24-2)20-25(22,23)14-6-4-13(5-7-14)19-16(21)12-3-8-15(17)18-9-12/h3-9,11,20H,10H2,1-2H3,(H,19,21)/t11-/m0/s1.
What are the key properties of 6-chloro-N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]pyridine-3-carboxamide?
6-chloro-N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]pyridine-3-carboxamide has a molecular weight of 383.86 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 2547899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).