2-chloro-N-[4-(4-fluorophenyl)sulfonylphenyl]acetamide

C14H11ClFNO3S — CID 3410124

IUPAC2-chloro-N-[4-(4-fluorophenyl)sulfonylphenyl]acetamide
SMILESO=C(CCl)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C14H11ClFNO3S/c15-9-14(18)17-11-3-7-13(8-4-11)21(19,20)12-5-1-10(16)2-6-12/h1-8H,9H2,(H,17,18)
InChIKeyYSRBCRCOXCHYFP-UHFFFAOYSA-N
MW327.76 g/mol
LogP2.84
Rot. Bonds4

About 2-chloro-N-[4-(4-fluorophenyl)sulfonylphenyl]acetamide

2-chloro-N-[4-(4-fluorophenyl)sulfonylphenyl]acetamide (PubChem CID 3410124) has the molecular formula C14H11ClFNO3S and a molecular weight of 327.76 g/mol. Its IUPAC name is 2-chloro-N-[4-(4-fluorophenyl)sulfonylphenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-(4-fluorophenyl)sulfonylphenyl]acetamide
PubChem CID3410124
Molecular FormulaC14H11ClFNO3S
Molecular Weight327.76 g/mol
Exact Mass327.01
IUPAC Name2-chloro-N-[4-(4-fluorophenyl)sulfonylphenyl]acetamide
SMILESO=C(CCl)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C14H11ClFNO3S/c15-9-14(18)17-11-3-7-13(8-4-11)21(19,20)12-5-1-10(16)2-6-12/h1-8H,9H2,(H,17,18)
InChIKeyYSRBCRCOXCHYFP-UHFFFAOYSA-N
XLogP2.84
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.76
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(4-fluorophenyl)acetamide
CID 532065
2-chloroacetyl chloride;2-chloro-N-(4-fluorophenyl)acetamide
CID 161093004
N-[4-(4-fluorophenyl)sulfonylphenyl]acetamide
CID 3080572
N-(4-fluorophenyl)-2-(4-fluorophenyl)sulfonylacetamide
CID 7544878
2-chloro-N-[4-(diaminomethylideneamino)sulfonylphenyl]acetamide
CID 2847090
2-(4-fluorophenyl)sulfonyl-N-[4-[[4-[[2-(4-fluorophenyl)sulfonylacetyl]amino]phenyl]methyl]phenyl]acetamide
CID 43980674
2-chloro-N-[4-(cyclopropylsulfamoyl)phenyl]acetamide
CID 43244647
3-(4-acetamidophenyl)sulfonyl-N-(4-fluorophenyl)propanamide
CID 110420356
3-[(4-fluorophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide
CID 9452229
N-(4-fluorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 894224
N-(4-aminophenyl)-2-chloroacetamide
CID 17325387
2-[(4-fluorophenyl)sulfonylamino]-N-(4-iodophenyl)acetamide
CID 126134237

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(4-fluorophenyl)sulfonylphenyl]acetamide?
The IUPAC name of 2-chloro-N-[4-(4-fluorophenyl)sulfonylphenyl]acetamide (CID 3410124) is 2-chloro-N-[4-(4-fluorophenyl)sulfonylphenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-(4-fluorophenyl)sulfonylphenyl]acetamide?
The canonical SMILES for 2-chloro-N-[4-(4-fluorophenyl)sulfonylphenyl]acetamide is O=C(CCl)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-chloro-N-[4-(4-fluorophenyl)sulfonylphenyl]acetamide?
The InChIKey is YSRBCRCOXCHYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO3S/c15-9-14(18)17-11-3-7-13(8-4-11)21(19,20)12-5-1-10(16)2-6-12/h1-8H,9H2,(H,17,18).
What are the key properties of 2-chloro-N-[4-(4-fluorophenyl)sulfonylphenyl]acetamide?
2-chloro-N-[4-(4-fluorophenyl)sulfonylphenyl]acetamide has a molecular weight of 327.76 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(4-fluorophenyl)sulfonylphenyl]acetamide is sourced from PubChem (CID 3410124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).