4-chloro-N-[1-(4-fluorophenyl)sulfanyl-2-methylpropan-2-yl]benzenesulfonamide

C16H17ClFNO2S2 — CID 2345289

IUPAC4-chloro-N-[1-(4-fluorophenyl)sulfanyl-2-methylpropan-2-yl]benzenesulfonamide
SMILESCC(C)(CSc1ccc(F)cc1)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClFNO2S2/c1-16(2,11-22-14-7-5-13(18)6-8-14)19-23(20,21)15-9-3-12(17)4-10-15/h3-10,19H,11H2,1-2H3
InChIKeyAWWAEYULXMAYIN-UHFFFAOYSA-N
MW373.90 g/mol
LogP4.33
Rot. Bonds6

About 4-chloro-N-[1-(4-fluorophenyl)sulfanyl-2-methylpropan-2-yl]benzenesulfonamide

4-chloro-N-[1-(4-fluorophenyl)sulfanyl-2-methylpropan-2-yl]benzenesulfonamide (PubChem CID 2345289) has the molecular formula C16H17ClFNO2S2 and a molecular weight of 373.90 g/mol. Its IUPAC name is 4-chloro-N-[1-(4-fluorophenyl)sulfanyl-2-methylpropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[1-(4-fluorophenyl)sulfanyl-2-methylpropan-2-yl]benzenesulfonamide
PubChem CID2345289
Molecular FormulaC16H17ClFNO2S2
Molecular Weight373.90 g/mol
Exact Mass373.04
IUPAC Name4-chloro-N-[1-(4-fluorophenyl)sulfanyl-2-methylpropan-2-yl]benzenesulfonamide
SMILESCC(C)(CSc1ccc(F)cc1)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClFNO2S2/c1-16(2,11-22-14-7-5-13(18)6-8-14)19-23(20,21)15-9-3-12(17)4-10-15/h3-10,19H,11H2,1-2H3
InChIKeyAWWAEYULXMAYIN-UHFFFAOYSA-N
XLogP4.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.90
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(tert-butylsulfanyl)ethyl]-4-chlorobenzenesulfonamide
CID 2805058
N-{2-[(4-chlorophenyl)thio]ethyl}-4-fluorobenzenesulfonamide
CID 2274741
4-chloro-2-fluoro-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 2447571
3-{[(4-Chlorophenyl)sulfonyl][(4-fluorophenyl)sulfonyl]amino}thiolane-1,1-dion e
CID 5154779
4-chloro-N-[2-(phenylsulfanyl)ethyl]benzenesulfonamide
CID 2275407
4-chloro-N-{2-[(4-fluorobenzyl)sulfanyl]-2-methylpropyl}benzenesulfonamide
CID 1487519
4-chloro-N-{2-[(4-fluorophenyl)thio]cyclohexyl}benzenesulfonamide
CID 2948690
N'-(3-chloro-4-fluorophenyl)sulfonyl-2-(4-chlorophenyl)sulfanylethanimidamide
CID 9583072
2-(4-chlorophenyl)sulfanyl-N'-(2,4-difluorophenyl)sulfonylethanimidamide
CID 9583073
4-chloro-2-fluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)benzenesulfonamide
CID 24420138
N-tert-butyl-4-chloro-2-fluorobenzenesulfonamide
CID 8405640
N-[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)butyl]methanesulfinamide
CID 142260366

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(4-fluorophenyl)sulfanyl-2-methylpropan-2-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[1-(4-fluorophenyl)sulfanyl-2-methylpropan-2-yl]benzenesulfonamide (CID 2345289) is 4-chloro-N-[1-(4-fluorophenyl)sulfanyl-2-methylpropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[1-(4-fluorophenyl)sulfanyl-2-methylpropan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[1-(4-fluorophenyl)sulfanyl-2-methylpropan-2-yl]benzenesulfonamide is CC(C)(CSc1ccc(F)cc1)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[1-(4-fluorophenyl)sulfanyl-2-methylpropan-2-yl]benzenesulfonamide?
The InChIKey is AWWAEYULXMAYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO2S2/c1-16(2,11-22-14-7-5-13(18)6-8-14)19-23(20,21)15-9-3-12(17)4-10-15/h3-10,19H,11H2,1-2H3.
What are the key properties of 4-chloro-N-[1-(4-fluorophenyl)sulfanyl-2-methylpropan-2-yl]benzenesulfonamide?
4-chloro-N-[1-(4-fluorophenyl)sulfanyl-2-methylpropan-2-yl]benzenesulfonamide has a molecular weight of 373.90 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(4-fluorophenyl)sulfanyl-2-methylpropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 2345289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).