1-phenyl-N-(4-propan-2-ylsulfanylphenyl)methanesulfonamide

C16H19NO2S2 — CID 110778693

IUPAC1-phenyl-N-(4-propan-2-ylsulfanylphenyl)methanesulfonamide
SMILESCC(C)Sc1ccc(NS(=O)(=O)Cc2ccccc2)cc1
InChIInChI=1S/C16H19NO2S2/c1-13(2)20-16-10-8-15(9-11-16)17-21(18,19)12-14-6-4-3-5-7-14/h3-11,13,17H,12H2,1-2H3
InChIKeyXXYYMFVNLNWHMH-UHFFFAOYSA-N
MW321.47 g/mol
LogP4.13
Rot. Bonds6

About 1-phenyl-N-(4-propan-2-ylsulfanylphenyl)methanesulfonamide

1-phenyl-N-(4-propan-2-ylsulfanylphenyl)methanesulfonamide (PubChem CID 110778693) has the molecular formula C16H19NO2S2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 1-phenyl-N-(4-propan-2-ylsulfanylphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-phenyl-N-(4-propan-2-ylsulfanylphenyl)methanesulfonamide
PubChem CID110778693
Molecular FormulaC16H19NO2S2
Molecular Weight321.47 g/mol
Exact Mass321.09
IUPAC Name1-phenyl-N-(4-propan-2-ylsulfanylphenyl)methanesulfonamide
SMILESCC(C)Sc1ccc(NS(=O)(=O)Cc2ccccc2)cc1
InChIInChI=1S/C16H19NO2S2/c1-13(2)20-16-10-8-15(9-11-16)17-21(18,19)12-14-6-4-3-5-7-14/h3-11,13,17H,12H2,1-2H3
InChIKeyXXYYMFVNLNWHMH-UHFFFAOYSA-N
XLogP4.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(benzylsulfonylamino)phenyl]acetamide
CID 743927
N-(4-cyanophenyl)-1-phenylmethanesulfonamide
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N-(4-phenoxyphenyl)-1-phenylmethanesulfonamide
CID 8512912
methyl 4-(benzylsulfonylamino)benzoate
CID 743645
N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-1-phenylmethanesulfonamide
CID 43104761
N-(2-chloropropyl)-1-phenylmethanesulfonamide
CID 65033175
1-(4-chlorophenyl)-N-(4-methylsulfanylphenyl)methanesulfonamide
CID 110778592
N-[4-(3-methylpyrazol-1-yl)phenyl]-1-phenylmethanesulfonamide
CID 35521142
N-[3-(1-aminoethyl)phenyl]-1-phenylmethanesulfonamide
CID 16794346
2-[4-(benzylsulfonylamino)phenyl]-2-hydroxyacetamide
CID 89464651
N-[3-(oxomethyl)-4-phenylsulfanylphenyl]-1-phenylmethanesulfonamide;yttrium(3+)
CID 20757955
N-[3-(4-anilinoanilino)phenyl]-1-phenylmethanesulfonamide
CID 67859373

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(4-propan-2-ylsulfanylphenyl)methanesulfonamide?
The IUPAC name of 1-phenyl-N-(4-propan-2-ylsulfanylphenyl)methanesulfonamide (CID 110778693) is 1-phenyl-N-(4-propan-2-ylsulfanylphenyl)methanesulfonamide.
What is the SMILES notation for 1-phenyl-N-(4-propan-2-ylsulfanylphenyl)methanesulfonamide?
The canonical SMILES for 1-phenyl-N-(4-propan-2-ylsulfanylphenyl)methanesulfonamide is CC(C)Sc1ccc(NS(=O)(=O)Cc2ccccc2)cc1.
What is the InChIKey of 1-phenyl-N-(4-propan-2-ylsulfanylphenyl)methanesulfonamide?
The InChIKey is XXYYMFVNLNWHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S2/c1-13(2)20-16-10-8-15(9-11-16)17-21(18,19)12-14-6-4-3-5-7-14/h3-11,13,17H,12H2,1-2H3.
What are the key properties of 1-phenyl-N-(4-propan-2-ylsulfanylphenyl)methanesulfonamide?
1-phenyl-N-(4-propan-2-ylsulfanylphenyl)methanesulfonamide has a molecular weight of 321.47 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(4-propan-2-ylsulfanylphenyl)methanesulfonamide is sourced from PubChem (CID 110778693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).