2-chloro-N-[3-(4-fluorophenyl)propyl]-5-(methanesulfonamido)benzamide

C17H18ClFN2O3S — CID 28635620

IUPAC2-chloro-N-[3-(4-fluorophenyl)propyl]-5-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1ccc(Cl)c(C(=O)NCCCc2ccc(F)cc2)c1
InChIInChI=1S/C17H18ClFN2O3S/c1-25(23,24)21-14-8-9-16(18)15(11-14)17(22)20-10-2-3-12-4-6-13(19)7-5-12/h4-9,11,21H,2-3,10H2,1H3,(H,20,22)
InChIKeyBTVQNEDWTICZQJ-UHFFFAOYSA-N
MW384.86 g/mol
LogP3.21
Rot. Bonds7

About 2-chloro-N-[3-(4-fluorophenyl)propyl]-5-(methanesulfonamido)benzamide

2-chloro-N-[3-(4-fluorophenyl)propyl]-5-(methanesulfonamido)benzamide (PubChem CID 28635620) has the molecular formula C17H18ClFN2O3S and a molecular weight of 384.86 g/mol. Its IUPAC name is 2-chloro-N-[3-(4-fluorophenyl)propyl]-5-(methanesulfonamido)benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-(4-fluorophenyl)propyl]-5-(methanesulfonamido)benzamide
PubChem CID28635620
Molecular FormulaC17H18ClFN2O3S
Molecular Weight384.86 g/mol
Exact Mass384.07
IUPAC Name2-chloro-N-[3-(4-fluorophenyl)propyl]-5-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1ccc(Cl)c(C(=O)NCCCc2ccc(F)cc2)c1
InChIInChI=1S/C17H18ClFN2O3S/c1-25(23,24)21-14-8-9-16(18)15(11-14)17(22)20-10-2-3-12-4-6-13(19)7-5-12/h4-9,11,21H,2-3,10H2,1H3,(H,20,22)
InChIKeyBTVQNEDWTICZQJ-UHFFFAOYSA-N
XLogP3.21
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-(methanesulfonamido)-N-(3-methoxypropyl)benzamide
CID 53283791
2-chloro-N-[(3-fluorophenyl)methyl]-5-(methanesulfonamido)benzamide
CID 53283727
2-chloro-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]-5-(methanesulfonamido)benzamide
CID 43909164
2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide
CID 38502673
N-[3-(4-fluorophenyl)propyl]-2,4-dimethylbenzamide
CID 100720245
2-chloro-N-(3-ethoxypropyl)-4-(methanesulfonamido)benzamide
CID 92686029
2-chloro-5-(methanesulfonamido)-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 100568601
2-chloro-4-(methanesulfonamido)-N-(2-methoxyethyl)benzamide
CID 38003506
N-(4-acetamidophenyl)-2-chloro-5-(methanesulfonamido)benzamide
CID 30397176
2-chloro-N-(4-chlorophenyl)-5-(methanesulfonamido)benzamide
CID 92685896
2-chloro-N-[2-(dimethylamino)ethyl]-4-(methanesulfonamido)benzamide
CID 43908500
2-chloro-5-(methanesulfonamido)-N-(2-phenylpropyl)benzamide
CID 133239711

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(4-fluorophenyl)propyl]-5-(methanesulfonamido)benzamide?
The IUPAC name of 2-chloro-N-[3-(4-fluorophenyl)propyl]-5-(methanesulfonamido)benzamide (CID 28635620) is 2-chloro-N-[3-(4-fluorophenyl)propyl]-5-(methanesulfonamido)benzamide.
What is the SMILES notation for 2-chloro-N-[3-(4-fluorophenyl)propyl]-5-(methanesulfonamido)benzamide?
The canonical SMILES for 2-chloro-N-[3-(4-fluorophenyl)propyl]-5-(methanesulfonamido)benzamide is CS(=O)(=O)Nc1ccc(Cl)c(C(=O)NCCCc2ccc(F)cc2)c1.
What is the InChIKey of 2-chloro-N-[3-(4-fluorophenyl)propyl]-5-(methanesulfonamido)benzamide?
The InChIKey is BTVQNEDWTICZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O3S/c1-25(23,24)21-14-8-9-16(18)15(11-14)17(22)20-10-2-3-12-4-6-13(19)7-5-12/h4-9,11,21H,2-3,10H2,1H3,(H,20,22).
What are the key properties of 2-chloro-N-[3-(4-fluorophenyl)propyl]-5-(methanesulfonamido)benzamide?
2-chloro-N-[3-(4-fluorophenyl)propyl]-5-(methanesulfonamido)benzamide has a molecular weight of 384.86 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(4-fluorophenyl)propyl]-5-(methanesulfonamido)benzamide is sourced from PubChem (CID 28635620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).