3-(methanesulfonamido)-2,4,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide

C17H19F3N2O4S2 — CID 60532916

IUPAC3-(methanesulfonamido)-2,4,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1NS(C)(=O)=O
InChIInChI=1S/C17H19F3N2O4S2/c1-10-8-11(2)16(12(3)15(10)22-27(4,23)24)28(25,26)21-14-7-5-6-13(9-14)17(18,19)20/h5-9,21-22H,1-4H3
InChIKeyKVYQWSFDVNNNBS-UHFFFAOYSA-N
MW436.48 g/mol
LogP3.80
Rot. Bonds5

About 3-(methanesulfonamido)-2,4,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide

3-(methanesulfonamido)-2,4,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 60532916) has the molecular formula C17H19F3N2O4S2 and a molecular weight of 436.48 g/mol. Its IUPAC name is 3-(methanesulfonamido)-2,4,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-2,4,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID60532916
Molecular FormulaC17H19F3N2O4S2
Molecular Weight436.48 g/mol
Exact Mass436.07
IUPAC Name3-(methanesulfonamido)-2,4,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1NS(C)(=O)=O
InChIInChI=1S/C17H19F3N2O4S2/c1-10-8-11(2)16(12(3)15(10)22-27(4,23)24)28(25,26)21-14-7-5-6-13(9-14)17(18,19)20/h5-9,21-22H,1-4H3
InChIKeyKVYQWSFDVNNNBS-UHFFFAOYSA-N
XLogP3.80
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

m-3M3FBS
CID 761523
2,4,6-trimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 770820
4,4'-Diamino-5,5'-dimethylbiphenyl-2,2'-disulphonic acid
CID 66527
3-(methanesulfonamido)-2,4-dimethyl-N-(2-methylphenyl)benzenesulfonamide
CID 2972740
N-cyclohexyl-2,4-dimethyl-3-[(methylsulfonyl)amino]benzenesulfonamide
CID 2973665
N-[4-amino-3-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 16777240
2,4-Dimethyl-5-{methyl[(4-methylphenyl)sulfonyl]amino}benzenesulfonamide
CID 2948585
N,2,4-trimethyl-5-{methyl[(4-methylphenyl)sulfonyl]amino}benzenesulfonamide
CID 2921882
N-[3,5-bis(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 560900
N-(4-Fluorophenyl)-2,4,6-trimethylbenzenesulfonamide
CID 577346
N-[3,5-bis(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzene-1-sulfonamide
CID 42913167
n-(2,4-Dimethylphenyl)-4-methylbenzenesulfonamide
CID 221018

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-2,4,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 3-(methanesulfonamido)-2,4,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide (CID 60532916) is 3-(methanesulfonamido)-2,4,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-(methanesulfonamido)-2,4,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-(methanesulfonamido)-2,4,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1NS(C)(=O)=O.
What is the InChIKey of 3-(methanesulfonamido)-2,4,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is KVYQWSFDVNNNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O4S2/c1-10-8-11(2)16(12(3)15(10)22-27(4,23)24)28(25,26)21-14-7-5-6-13(9-14)17(18,19)20/h5-9,21-22H,1-4H3.
What are the key properties of 3-(methanesulfonamido)-2,4,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
3-(methanesulfonamido)-2,4,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 436.48 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-2,4,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 60532916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).