3-chloro-4-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide

C15H13ClF3NO3S — CID 3779022

IUPAC3-chloro-4-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2cccc(OC(F)(F)F)c2)cc1Cl
InChIInChI=1S/C15H13ClF3NO3S/c1-10-5-6-13(8-14(10)16)24(21,22)20-9-11-3-2-4-12(7-11)23-15(17,18)19/h2-8,20H,9H2,1H3
InChIKeyZAUNANXLDXEVJT-UHFFFAOYSA-N
MW379.79 g/mol
LogP4.03
Rot. Bonds5

About 3-chloro-4-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide

3-chloro-4-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide (PubChem CID 3779022) has the molecular formula C15H13ClF3NO3S and a molecular weight of 379.79 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
PubChem CID3779022
Molecular FormulaC15H13ClF3NO3S
Molecular Weight379.79 g/mol
Exact Mass379.03
IUPAC Name3-chloro-4-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2cccc(OC(F)(F)F)c2)cc1Cl
InChIInChI=1S/C15H13ClF3NO3S/c1-10-5-6-13(8-14(10)16)24(21,22)20-9-11-3-2-4-12(7-11)23-15(17,18)19/h2-8,20H,9H2,1H3
InChIKeyZAUNANXLDXEVJT-UHFFFAOYSA-N
XLogP4.03
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.79
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(3-chloro-4-methylphenyl)methyl]-4-methylbenzenesulfonamide
CID 3673362
3-chloro-N-[(3-iodophenyl)methyl]-4-methylbenzenesulfonamide
CID 5017106
1-(3-chloro-4-methylphenyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]urea
CID 3865446
N-[(3-chloro-4-methylphenyl)methyl]-3-methylbenzenesulfonamide
CID 3714590
N-[[3-(trifluoromethoxy)phenyl]methyl]naphthalene-1-sulfonamide
CID 3854839
N-[[3-[(1R)-1-cyanopropoxy]phenyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 164862059
N-ethyl-3-(trifluoromethoxy)benzenesulfonamide
CID 43243258
3-amino-4-chloro-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 61028920
N-[2-(methylamino)ethyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 62659680
N-[[3-(difluoromethoxy)phenyl]methyl]-4-methyl-3-nitrobenzenesulfonamide
CID 49457381
N-[(3-pyridin-2-yloxyphenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 90596443
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 55642240

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide (CID 3779022) is 3-chloro-4-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2cccc(OC(F)(F)F)c2)cc1Cl.
What is the InChIKey of 3-chloro-4-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
The InChIKey is ZAUNANXLDXEVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NO3S/c1-10-5-6-13(8-14(10)16)24(21,22)20-9-11-3-2-4-12(7-11)23-15(17,18)19/h2-8,20H,9H2,1H3.
What are the key properties of 3-chloro-4-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
3-chloro-4-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide has a molecular weight of 379.79 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 3779022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).