6-chloro-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]pyridine-3-carboxamide

C16H16ClN3O3S — CID 55845607

IUPAC6-chloro-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(Cl)nc1
InChIInChI=1S/C16H16ClN3O3S/c17-15-8-3-12(10-18-15)16(21)19-9-11-1-6-14(7-2-11)24(22,23)20-13-4-5-13/h1-3,6-8,10,13,20H,4-5,9H2,(H,19,21)
InChIKeyCAOCXOVUTQGQSC-UHFFFAOYSA-N
MW365.84 g/mol
LogP2.11
Rot. Bonds6

About 6-chloro-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]pyridine-3-carboxamide

6-chloro-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 55845607) has the molecular formula C16H16ClN3O3S and a molecular weight of 365.84 g/mol. Its IUPAC name is 6-chloro-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID55845607
Molecular FormulaC16H16ClN3O3S
Molecular Weight365.84 g/mol
Exact Mass365.06
IUPAC Name6-chloro-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(Cl)nc1
InChIInChI=1S/C16H16ClN3O3S/c17-15-8-3-12(10-18-15)16(21)19-9-11-1-6-14(7-2-11)24(22,23)20-13-4-5-13/h1-3,6-8,10,13,20H,4-5,9H2,(H,19,21)
InChIKeyCAOCXOVUTQGQSC-UHFFFAOYSA-N
XLogP2.11
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.84
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(cyclopropylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide
CID 17496581
4-cyclohexyl-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]benzamide
CID 52685874
6-chloro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridine-3-carboxamide
CID 46592420
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 55847017
4-(cyclopentylsulfamoyl)-N-(furan-3-ylmethyl)benzamide
CID 70751779
N-[[4-(oxan-4-ylsulfamoyl)phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 71726997
N-[[4-[[4-(2,2,2-trifluoroethylamino)cyclohexyl]sulfamoyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 71727570
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(4-fluorophenyl)acetamide
CID 47058155
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 55846251
6-chloro-N-cyclooctylpyridine-3-sulfonamide
CID 7938157
4-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
CID 97115789
6-chloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 46456887

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]pyridine-3-carboxamide (CID 55845607) is 6-chloro-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]pyridine-3-carboxamide is O=C(NCc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is CAOCXOVUTQGQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3S/c17-15-8-3-12(10-18-15)16(21)19-9-11-1-6-14(7-2-11)24(22,23)20-13-4-5-13/h1-3,6-8,10,13,20H,4-5,9H2,(H,19,21).
What are the key properties of 6-chloro-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]pyridine-3-carboxamide?
6-chloro-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 365.84 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 55845607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).