1-(2-chloro-6-fluorophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]methanesulfonamide

C17H19ClFNO3S — CID 28576901

IUPAC1-(2-chloro-6-fluorophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]methanesulfonamide
SMILESCC(C)Oc1ccc(CNS(=O)(=O)Cc2c(F)cccc2Cl)cc1
InChIInChI=1S/C17H19ClFNO3S/c1-12(2)23-14-8-6-13(7-9-14)10-20-24(21,22)11-15-16(18)4-3-5-17(15)19/h3-9,12,20H,10-11H2,1-2H3
InChIKeyFXKOCKXWWZPNNH-UHFFFAOYSA-N
MW371.86 g/mol
LogP3.89
Rot. Bonds7

About 1-(2-chloro-6-fluorophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]methanesulfonamide

1-(2-chloro-6-fluorophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]methanesulfonamide (PubChem CID 28576901) has the molecular formula C17H19ClFNO3S and a molecular weight of 371.86 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]methanesulfonamide
PubChem CID28576901
Molecular FormulaC17H19ClFNO3S
Molecular Weight371.86 g/mol
Exact Mass371.08
IUPAC Name1-(2-chloro-6-fluorophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]methanesulfonamide
SMILESCC(C)Oc1ccc(CNS(=O)(=O)Cc2c(F)cccc2Cl)cc1
InChIInChI=1S/C17H19ClFNO3S/c1-12(2)23-14-8-6-13(7-9-14)10-20-24(21,22)11-15-16(18)4-3-5-17(15)19/h3-9,12,20H,10-11H2,1-2H3
InChIKeyFXKOCKXWWZPNNH-UHFFFAOYSA-N
XLogP3.89
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.86
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dichlorophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]methanesulfonamide
CID 92680578
2,6-difluoro-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide
CID 46595987
1-(2-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]methanesulfonamide
CID 30386508
1-(2-chloro-6-fluorophenyl)-N-[1-(4-ethoxyphenyl)ethyl]methanesulfonamide
CID 43907196
1-(2-chloro-6-fluorophenyl)-N-[(1R)-1-phenylethyl]methanesulfonamide
CID 42563699
1-(2-chloro-6-fluorophenyl)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]methanesulfonamide
CID 94027446
N-[[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine
CID 39443756
3-[(2-chloro-6-fluorophenyl)methylsulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 122071615
1-(2-chloro-6-fluorophenyl)-N-(1-phenylpropyl)methanesulfonamide
CID 43905570
3-chloro-2-[(4-propan-2-yloxyanilino)methyl]phenol
CID 79479384
3-[(2-chloro-6-fluorophenyl)methylsulfonyl]-2-methylpropan-1-amine
CID 81202290
3,5-dichloro-4-fluoro-N-[(4-propan-2-yloxyphenyl)methyl]aniline
CID 107572877

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]methanesulfonamide?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]methanesulfonamide (CID 28576901) is 1-(2-chloro-6-fluorophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]methanesulfonamide?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]methanesulfonamide is CC(C)Oc1ccc(CNS(=O)(=O)Cc2c(F)cccc2Cl)cc1.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]methanesulfonamide?
The InChIKey is FXKOCKXWWZPNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO3S/c1-12(2)23-14-8-6-13(7-9-14)10-20-24(21,22)11-15-16(18)4-3-5-17(15)19/h3-9,12,20H,10-11H2,1-2H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]methanesulfonamide?
1-(2-chloro-6-fluorophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]methanesulfonamide has a molecular weight of 371.86 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]methanesulfonamide is sourced from PubChem (CID 28576901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).