2-chloro-5-(methanesulfonamido)-N-(2-phenylpropyl)benzamide

C17H19ClN2O3S — CID 133239711

IUPAC2-chloro-5-(methanesulfonamido)-N-(2-phenylpropyl)benzamide
SMILESCC(CNC(=O)c1cc(NS(C)(=O)=O)ccc1Cl)c1ccccc1
InChIInChI=1S/C17H19ClN2O3S/c1-12(13-6-4-3-5-7-13)11-19-17(21)15-10-14(8-9-16(15)18)20-24(2,22)23/h3-10,12,20H,11H2,1-2H3,(H,19,21)
InChIKeyCIOSUJRQNIBQCE-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.24
Rot. Bonds6

About 2-chloro-5-(methanesulfonamido)-N-(2-phenylpropyl)benzamide

2-chloro-5-(methanesulfonamido)-N-(2-phenylpropyl)benzamide (PubChem CID 133239711) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is 2-chloro-5-(methanesulfonamido)-N-(2-phenylpropyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-(methanesulfonamido)-N-(2-phenylpropyl)benzamide
PubChem CID133239711
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name2-chloro-5-(methanesulfonamido)-N-(2-phenylpropyl)benzamide
SMILESCC(CNC(=O)c1cc(NS(C)(=O)=O)ccc1Cl)c1ccccc1
InChIInChI=1S/C17H19ClN2O3S/c1-12(13-6-4-3-5-7-13)11-19-17(21)15-10-14(8-9-16(15)18)20-24(2,22)23/h3-10,12,20H,11H2,1-2H3,(H,19,21)
InChIKeyCIOSUJRQNIBQCE-UHFFFAOYSA-N
XLogP3.24
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-5-fluoro-N-[(2R)-2-phenylpropyl]benzamide
CID 9457236
2-chloro-5-(methanesulfonamido)-N-(3-methoxypropyl)benzamide
CID 53283791
4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-(2-phenylpropyl)benzamide
CID 133229135
2-chloro-5-(methanesulfonamido)-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 100568601
5-(benzenesulfonamido)-2-chloro-N-(3-methylbutyl)benzamide
CID 92673529
2-chloro-5-(methanesulfonamido)-N-[(2R)-pentan-2-yl]benzamide
CID 30397362
2-chloro-4-(methanesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide
CID 43877134
2-chloro-4-(methanesulfonamido)-N-(1-phenylpropyl)benzamide
CID 43876402
2-amino-3-chloro-N-(2-phenylpropyl)benzamide
CID 115540226
2-chloro-N-[(3-fluorophenyl)methyl]-5-(methanesulfonamido)benzamide
CID 53283727
4-(ethylsulfonylamino)-N-(2-phenylpropyl)benzamide
CID 133163901
2-chloro-4-(methanesulfonamido)-N-(2-methoxyethyl)benzamide
CID 38003506

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(methanesulfonamido)-N-(2-phenylpropyl)benzamide?
The IUPAC name of 2-chloro-5-(methanesulfonamido)-N-(2-phenylpropyl)benzamide (CID 133239711) is 2-chloro-5-(methanesulfonamido)-N-(2-phenylpropyl)benzamide.
What is the SMILES notation for 2-chloro-5-(methanesulfonamido)-N-(2-phenylpropyl)benzamide?
The canonical SMILES for 2-chloro-5-(methanesulfonamido)-N-(2-phenylpropyl)benzamide is CC(CNC(=O)c1cc(NS(C)(=O)=O)ccc1Cl)c1ccccc1.
What is the InChIKey of 2-chloro-5-(methanesulfonamido)-N-(2-phenylpropyl)benzamide?
The InChIKey is CIOSUJRQNIBQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-12(13-6-4-3-5-7-13)11-19-17(21)15-10-14(8-9-16(15)18)20-24(2,22)23/h3-10,12,20H,11H2,1-2H3,(H,19,21).
What are the key properties of 2-chloro-5-(methanesulfonamido)-N-(2-phenylpropyl)benzamide?
2-chloro-5-(methanesulfonamido)-N-(2-phenylpropyl)benzamide has a molecular weight of 366.87 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(methanesulfonamido)-N-(2-phenylpropyl)benzamide is sourced from PubChem (CID 133239711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).