4-[(2,5-dichlorophenyl)sulfonylamino]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzamide

C22H21Cl2N3O4S — CID 55848317

IUPAC4-[(2,5-dichlorophenyl)sulfonylamino]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzamide
SMILESCC(C)Oc1ncccc1CNC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C22H21Cl2N3O4S/c1-14(2)31-22-16(4-3-11-25-22)13-26-21(28)15-5-8-18(9-6-15)27-32(29,30)20-12-17(23)7-10-19(20)24/h3-12,14,27H,13H2,1-2H3,(H,26,28)
InChIKeyALZHEJZKDZLTGT-UHFFFAOYSA-N
MW494.40 g/mol
LogP4.91
Rot. Bonds8

About 4-[(2,5-dichlorophenyl)sulfonylamino]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzamide

4-[(2,5-dichlorophenyl)sulfonylamino]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzamide (PubChem CID 55848317) has the molecular formula C22H21Cl2N3O4S and a molecular weight of 494.40 g/mol. Its IUPAC name is 4-[(2,5-dichlorophenyl)sulfonylamino]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name4-[(2,5-dichlorophenyl)sulfonylamino]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzamide
PubChem CID55848317
Molecular FormulaC22H21Cl2N3O4S
Molecular Weight494.40 g/mol
Exact Mass493.06
IUPAC Name4-[(2,5-dichlorophenyl)sulfonylamino]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzamide
SMILESCC(C)Oc1ncccc1CNC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C22H21Cl2N3O4S/c1-14(2)31-22-16(4-3-11-25-22)13-26-21(28)15-5-8-18(9-6-15)27-32(29,30)20-12-17(23)7-10-19(20)24/h3-12,14,27H,13H2,1-2H3,(H,26,28)
InChIKeyALZHEJZKDZLTGT-UHFFFAOYSA-N
XLogP4.91
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.40
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2,5-dichlorophenyl)sulfonylamino]-N-(2-hydroxypropyl)benzamide
CID 78803253
4-chloro-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 81229055
4-[(2,5-dichlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 55349910
4-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide
CID 31540732
4-[(2,5-dichlorophenyl)sulfonylamino]-N-(2-hydroxy-2-phenylethyl)benzamide
CID 55376093
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide
CID 60975328
5-hydroxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 63860474
4-chloro-N-[(2-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24536359
5-chloro-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrazine-2-carboxamide
CID 107249436
4-methoxy-3-morpholin-4-ylsulfonyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzamide
CID 55780552
4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide
CID 24537837
3-cyano-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzamide
CID 51082279

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dichlorophenyl)sulfonylamino]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzamide?
The IUPAC name of 4-[(2,5-dichlorophenyl)sulfonylamino]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzamide (CID 55848317) is 4-[(2,5-dichlorophenyl)sulfonylamino]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 4-[(2,5-dichlorophenyl)sulfonylamino]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 4-[(2,5-dichlorophenyl)sulfonylamino]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzamide is CC(C)Oc1ncccc1CNC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 4-[(2,5-dichlorophenyl)sulfonylamino]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzamide?
The InChIKey is ALZHEJZKDZLTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N3O4S/c1-14(2)31-22-16(4-3-11-25-22)13-26-21(28)15-5-8-18(9-6-15)27-32(29,30)20-12-17(23)7-10-19(20)24/h3-12,14,27H,13H2,1-2H3,(H,26,28).
What are the key properties of 4-[(2,5-dichlorophenyl)sulfonylamino]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzamide?
4-[(2,5-dichlorophenyl)sulfonylamino]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzamide has a molecular weight of 494.40 g/mol, XLogP of 4.91, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dichlorophenyl)sulfonylamino]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 55848317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).