3-[(2-chlorophenyl)sulfonylamino]-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide

C18H18ClN5O3S — CID 55635678

IUPAC3-[(2-chlorophenyl)sulfonylamino]-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1Cl)NCc1ccnc(-n2cccn2)c1
InChIInChI=1S/C18H18ClN5O3S/c19-15-4-1-2-5-16(15)28(26,27)23-10-7-18(25)21-13-14-6-9-20-17(12-14)24-11-3-8-22-24/h1-6,8-9,11-12,23H,7,10,13H2,(H,21,25)
InChIKeyVNROMPVLXCYWLV-UHFFFAOYSA-N
MW419.89 g/mol
LogP1.91
Rot. Bonds8

About 3-[(2-chlorophenyl)sulfonylamino]-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide

3-[(2-chlorophenyl)sulfonylamino]-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide (PubChem CID 55635678) has the molecular formula C18H18ClN5O3S and a molecular weight of 419.89 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)sulfonylamino]-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)sulfonylamino]-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide
PubChem CID55635678
Molecular FormulaC18H18ClN5O3S
Molecular Weight419.89 g/mol
Exact Mass419.08
IUPAC Name3-[(2-chlorophenyl)sulfonylamino]-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1Cl)NCc1ccnc(-n2cccn2)c1
InChIInChI=1S/C18H18ClN5O3S/c19-15-4-1-2-5-16(15)28(26,27)23-10-7-18(25)21-13-14-6-9-20-17(12-14)24-11-3-8-22-24/h1-6,8-9,11-12,23H,7,10,13H2,(H,21,25)
InChIKeyVNROMPVLXCYWLV-UHFFFAOYSA-N
XLogP1.91
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.89
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-chlorophenyl)sulfonyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperazine-1-carboxamide
CID 35651872
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide
CID 55619928
4-(methylamino)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]butanamide
CID 119846908
4-(methylamino)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]butanamide;dihydrochloride
CID 119846907
3-[(2-chlorophenyl)sulfonylamino]-N-(thiophen-3-ylmethyl)propanamide
CID 55694010
2-chloro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide
CID 16654544
3-[(2-chlorophenyl)sulfonylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]propanamide
CID 55858772
4-amino-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pentanamide;dihydrochloride
CID 120564578
3-[(2,4-dimethylphenyl)sulfonylamino]-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]propanamide
CID 55849533
N-[3-[[3-[(2-chlorophenyl)sulfonylamino]propanoylamino]methyl]phenyl]-4-fluorobenzamide
CID 55947108
2-[(2-chlorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
CID 112993228
benzyl N-[2-oxo-2-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]ethyl]carbamate
CID 154775336

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)sulfonylamino]-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide?
The IUPAC name of 3-[(2-chlorophenyl)sulfonylamino]-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide (CID 55635678) is 3-[(2-chlorophenyl)sulfonylamino]-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide.
What is the SMILES notation for 3-[(2-chlorophenyl)sulfonylamino]-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide?
The canonical SMILES for 3-[(2-chlorophenyl)sulfonylamino]-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide is O=C(CCNS(=O)(=O)c1ccccc1Cl)NCc1ccnc(-n2cccn2)c1.
What is the InChIKey of 3-[(2-chlorophenyl)sulfonylamino]-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide?
The InChIKey is VNROMPVLXCYWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O3S/c19-15-4-1-2-5-16(15)28(26,27)23-10-7-18(25)21-13-14-6-9-20-17(12-14)24-11-3-8-22-24/h1-6,8-9,11-12,23H,7,10,13H2,(H,21,25).
What are the key properties of 3-[(2-chlorophenyl)sulfonylamino]-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide?
3-[(2-chlorophenyl)sulfonylamino]-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide has a molecular weight of 419.89 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)sulfonylamino]-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide is sourced from PubChem (CID 55635678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).