N-(3-chloro-4-fluorophenyl)-2-(cyclopropylmethylsulfonylamino)pyridine-4-carboxamide

C16H15ClFN3O3S — CID 121380288

IUPACN-(3-chloro-4-fluorophenyl)-2-(cyclopropylmethylsulfonylamino)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccnc(NS(=O)(=O)CC2CC2)c1
InChIInChI=1S/C16H15ClFN3O3S/c17-13-8-12(3-4-14(13)18)20-16(22)11-5-6-19-15(7-11)21-25(23,24)9-10-1-2-10/h3-8,10H,1-2,9H2,(H,19,21)(H,20,22)
InChIKeyOBDKURAUOLIGFD-UHFFFAOYSA-N
MW383.83 g/mol
LogP3.28
Rot. Bonds6

About N-(3-chloro-4-fluorophenyl)-2-(cyclopropylmethylsulfonylamino)pyridine-4-carboxamide

N-(3-chloro-4-fluorophenyl)-2-(cyclopropylmethylsulfonylamino)pyridine-4-carboxamide (PubChem CID 121380288) has the molecular formula C16H15ClFN3O3S and a molecular weight of 383.83 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(cyclopropylmethylsulfonylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(cyclopropylmethylsulfonylamino)pyridine-4-carboxamide
PubChem CID121380288
Molecular FormulaC16H15ClFN3O3S
Molecular Weight383.83 g/mol
Exact Mass383.05
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(cyclopropylmethylsulfonylamino)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccnc(NS(=O)(=O)CC2CC2)c1
InChIInChI=1S/C16H15ClFN3O3S/c17-13-8-12(3-4-14(13)18)20-16(22)11-5-6-19-15(7-11)21-25(23,24)9-10-1-2-10/h3-8,10H,1-2,9H2,(H,19,21)(H,20,22)
InChIKeyOBDKURAUOLIGFD-UHFFFAOYSA-N
XLogP3.28
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.83
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-[(4-propan-2-ylphenyl)methylsulfonylamino]pyridine-4-carboxamide
CID 121380207
N-(3-chloro-4-fluorophenyl)-2-(propan-2-ylsulfonylamino)pyridine-4-carboxamide
CID 121380214
N-(3-chloro-4-fluorophenyl)-2-(naphthalen-2-ylmethylsulfonylamino)pyridine-4-carboxamide
CID 121380279
N-(3-chloro-4-fluorophenyl)-2-(ethylamino)pyridine-4-carboxamide
CID 62166984
N-(3-chloro-4-fluorophenyl)-2-(propan-2-ylsulfanylamino)pyridine-4-carboxamide
CID 130449974
4-N-(3-chloro-4-fluorophenyl)-2-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078718
N-(3-chloro-4-fluorophenyl)-2-(2,4-difluoroanilino)pyridine-4-carboxamide
CID 109177743
N-(3-chloro-4-fluorophenyl)-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide
CID 109172559
2-N-(3-chloro-4-fluorophenyl)-4-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080795
N-(3-chloro-4-fluorophenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide
CID 109170168
N-(3-chloro-4-fluorophenyl)-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109169709
2-N-(3-chloro-4-fluorophenyl)-4-N-cycloheptylpyridine-2,4-dicarboxamide
CID 109089398

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(cyclopropylmethylsulfonylamino)pyridine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(cyclopropylmethylsulfonylamino)pyridine-4-carboxamide (CID 121380288) is N-(3-chloro-4-fluorophenyl)-2-(cyclopropylmethylsulfonylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(cyclopropylmethylsulfonylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(cyclopropylmethylsulfonylamino)pyridine-4-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)c1ccnc(NS(=O)(=O)CC2CC2)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(cyclopropylmethylsulfonylamino)pyridine-4-carboxamide?
The InChIKey is OBDKURAUOLIGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN3O3S/c17-13-8-12(3-4-14(13)18)20-16(22)11-5-6-19-15(7-11)21-25(23,24)9-10-1-2-10/h3-8,10H,1-2,9H2,(H,19,21)(H,20,22).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(cyclopropylmethylsulfonylamino)pyridine-4-carboxamide?
N-(3-chloro-4-fluorophenyl)-2-(cyclopropylmethylsulfonylamino)pyridine-4-carboxamide has a molecular weight of 383.83 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(cyclopropylmethylsulfonylamino)pyridine-4-carboxamide is sourced from PubChem (CID 121380288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).