1-chloro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]methanesulfonamide

C12H11ClFNO2S2 — CID 63665118

IUPAC1-chloro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]methanesulfonamide
SMILESO=S(=O)(CCl)NC(c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C12H11ClFNO2S2/c13-8-19(16,17)15-12(11-2-1-7-18-11)9-3-5-10(14)6-4-9/h1-7,12,15H,8H2
InChIKeyNHXXQLHMZUMBIY-UHFFFAOYSA-N
MW319.81 g/mol
LogP3.09
Rot. Bonds5

About 1-chloro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]methanesulfonamide

1-chloro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]methanesulfonamide (PubChem CID 63665118) has the molecular formula C12H11ClFNO2S2 and a molecular weight of 319.81 g/mol. Its IUPAC name is 1-chloro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]methanesulfonamide
PubChem CID63665118
Molecular FormulaC12H11ClFNO2S2
Molecular Weight319.81 g/mol
Exact Mass318.99
IUPAC Name1-chloro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]methanesulfonamide
SMILESO=S(=O)(CCl)NC(c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C12H11ClFNO2S2/c13-8-19(16,17)15-12(11-2-1-7-18-11)9-3-5-10(14)6-4-9/h1-7,12,15H,8H2
InChIKeyNHXXQLHMZUMBIY-UHFFFAOYSA-N
XLogP3.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 53.09
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

1-(4-fluorophenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43393729
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]morpholine-4-sulfonamide
CID 51335598
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzenesulfonamide
CID 43021402
N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 41099331
methyl 2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]acetate
CID 94176340
methyl 3-[[(4-fluorophenyl)-thiophen-2-ylmethyl]sulfamoyl]benzoate
CID 42888408
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 18279784
ethyl N-[(4-fluorophenyl)-thiophen-2-ylmethyl]carbamate
CID 60664930
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46565128
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-methylsulfonylbenzamide
CID 46566188
(3S)-3-acetamido-3-(4-chlorophenyl)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]propanamide
CID 41355345
3,4,5-trichloro-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-2-carboxamide
CID 26193106

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]methanesulfonamide?
The IUPAC name of 1-chloro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]methanesulfonamide (CID 63665118) is 1-chloro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]methanesulfonamide.
What is the SMILES notation for 1-chloro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]methanesulfonamide?
The canonical SMILES for 1-chloro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]methanesulfonamide is O=S(=O)(CCl)NC(c1ccc(F)cc1)c1cccs1.
What is the InChIKey of 1-chloro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]methanesulfonamide?
The InChIKey is NHXXQLHMZUMBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNO2S2/c13-8-19(16,17)15-12(11-2-1-7-18-11)9-3-5-10(14)6-4-9/h1-7,12,15H,8H2.
What are the key properties of 1-chloro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]methanesulfonamide?
1-chloro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]methanesulfonamide has a molecular weight of 319.81 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]methanesulfonamide is sourced from PubChem (CID 63665118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).