2-chloro-5-(2-phenoxyethylsulfamoyl)-N-[(1R)-1-pyridin-2-ylethyl]benzamide

C22H22ClN3O4S — CID 41144884

IUPAC2-chloro-5-(2-phenoxyethylsulfamoyl)-N-[(1R)-1-pyridin-2-ylethyl]benzamide
SMILESC[C@@H](NC(=O)c1cc(S(=O)(=O)NCCOc2ccccc2)ccc1Cl)c1ccccn1
InChIInChI=1S/C22H22ClN3O4S/c1-16(21-9-5-6-12-24-21)26-22(27)19-15-18(10-11-20(19)23)31(28,29)25-13-14-30-17-7-3-2-4-8-17/h2-12,15-16,25H,13-14H2,1H3,(H,26,27)/t16-/m1/s1
InChIKeySRTSEBKDCXBLPS-MRXNPFEDSA-N
MW459.96 g/mol
LogP3.58
Rot. Bonds9

About 2-chloro-5-(2-phenoxyethylsulfamoyl)-N-[(1R)-1-pyridin-2-ylethyl]benzamide

2-chloro-5-(2-phenoxyethylsulfamoyl)-N-[(1R)-1-pyridin-2-ylethyl]benzamide (PubChem CID 41144884) has the molecular formula C22H22ClN3O4S and a molecular weight of 459.96 g/mol. Its IUPAC name is 2-chloro-5-(2-phenoxyethylsulfamoyl)-N-[(1R)-1-pyridin-2-ylethyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-(2-phenoxyethylsulfamoyl)-N-[(1R)-1-pyridin-2-ylethyl]benzamide
PubChem CID41144884
Molecular FormulaC22H22ClN3O4S
Molecular Weight459.96 g/mol
Exact Mass459.10
IUPAC Name2-chloro-5-(2-phenoxyethylsulfamoyl)-N-[(1R)-1-pyridin-2-ylethyl]benzamide
SMILESC[C@@H](NC(=O)c1cc(S(=O)(=O)NCCOc2ccccc2)ccc1Cl)c1ccccn1
InChIInChI=1S/C22H22ClN3O4S/c1-16(21-9-5-6-12-24-21)26-22(27)19-15-18(10-11-20(19)23)31(28,29)25-13-14-30-17-7-3-2-4-8-17/h2-12,15-16,25H,13-14H2,1H3,(H,26,27)/t16-/m1/s1
InChIKeySRTSEBKDCXBLPS-MRXNPFEDSA-N
XLogP3.58
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.96
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-5-(2-phenoxyethylsulfamoyl)benzamide
CID 24595727
2-chloro-N-[2-[di(propan-2-yl)amino]ethyl]-5-(2-phenoxyethylsulfamoyl)benzamide
CID 39466987
2-chloro-5-(2-phenoxyethylsulfamoyl)-N-prop-2-ynylbenzamide
CID 24633320
2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-5-(2-phenoxyethylsulfamoyl)benzamide
CID 24625182
2-chloro-N-[(1R)-1-pyridin-2-ylethyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 9362538
2-chloro-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 36804802
2-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-5-(2-phenoxyethylsulfamoyl)benzamide
CID 31411571
2-methyl-N-[(1S)-1-pyridin-2-ylethyl]-5-sulfamoylbenzamide
CID 35943097
N-(2-phenoxyethyl)-4-propan-2-ylbenzenesulfonamide
CID 3858812
methyl 2-chloro-5-[2-(4-ethylphenoxy)ethylsulfamoyl]benzoate
CID 100557630
2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 26676882
2-(3,4-dichlorophenyl)-N-(1-pyridin-2-ylethyl)acetamide
CID 47097455

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-phenoxyethylsulfamoyl)-N-[(1R)-1-pyridin-2-ylethyl]benzamide?
The IUPAC name of 2-chloro-5-(2-phenoxyethylsulfamoyl)-N-[(1R)-1-pyridin-2-ylethyl]benzamide (CID 41144884) is 2-chloro-5-(2-phenoxyethylsulfamoyl)-N-[(1R)-1-pyridin-2-ylethyl]benzamide.
What is the SMILES notation for 2-chloro-5-(2-phenoxyethylsulfamoyl)-N-[(1R)-1-pyridin-2-ylethyl]benzamide?
The canonical SMILES for 2-chloro-5-(2-phenoxyethylsulfamoyl)-N-[(1R)-1-pyridin-2-ylethyl]benzamide is C[C@@H](NC(=O)c1cc(S(=O)(=O)NCCOc2ccccc2)ccc1Cl)c1ccccn1.
What is the InChIKey of 2-chloro-5-(2-phenoxyethylsulfamoyl)-N-[(1R)-1-pyridin-2-ylethyl]benzamide?
The InChIKey is SRTSEBKDCXBLPS-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H22ClN3O4S/c1-16(21-9-5-6-12-24-21)26-22(27)19-15-18(10-11-20(19)23)31(28,29)25-13-14-30-17-7-3-2-4-8-17/h2-12,15-16,25H,13-14H2,1H3,(H,26,27)/t16-/m1/s1.
What are the key properties of 2-chloro-5-(2-phenoxyethylsulfamoyl)-N-[(1R)-1-pyridin-2-ylethyl]benzamide?
2-chloro-5-(2-phenoxyethylsulfamoyl)-N-[(1R)-1-pyridin-2-ylethyl]benzamide has a molecular weight of 459.96 g/mol, XLogP of 3.58, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2-phenoxyethylsulfamoyl)-N-[(1R)-1-pyridin-2-ylethyl]benzamide is sourced from PubChem (CID 41144884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).