4-chloro-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzenesulfonamide

C15H13ClF3NO3S — CID 31113443

IUPAC4-chloro-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(OCC(F)(F)F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClF3NO3S/c16-12-3-7-14(8-4-12)24(21,22)20-9-11-1-5-13(6-2-11)23-10-15(17,18)19/h1-8,20H,9-10H2
InChIKeyODIHNNAQQBVYGH-UHFFFAOYSA-N
MW379.79 g/mol
LogP3.76
Rot. Bonds6

About 4-chloro-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzenesulfonamide

4-chloro-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzenesulfonamide (PubChem CID 31113443) has the molecular formula C15H13ClF3NO3S and a molecular weight of 379.79 g/mol. Its IUPAC name is 4-chloro-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzenesulfonamide
PubChem CID31113443
Molecular FormulaC15H13ClF3NO3S
Molecular Weight379.79 g/mol
Exact Mass379.03
IUPAC Name4-chloro-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(OCC(F)(F)F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClF3NO3S/c16-12-3-7-14(8-4-12)24(21,22)20-9-11-1-5-13(6-2-11)23-10-15(17,18)19/h1-8,20H,9-10H2
InChIKeyODIHNNAQQBVYGH-UHFFFAOYSA-N
XLogP3.76
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.79
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-3,5-dimethyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzenesulfonamide
CID 112823116
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 31113519
N-[[4-(aminomethyl)phenyl]methyl]-4-chlorobenzenesulfonamide
CID 81089757
N-[(4-chlorophenyl)methyl]-4-iodobenzenesulfonamide
CID 5000374
N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 3703506
N-[(4-chlorophenyl)methyl]-4-cyclopentyloxybenzenesulfonamide
CID 113098120
6-chloro-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide
CID 826869
3-chloro-N-[(4-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 26945724
4-[[(4-chlorophenyl)sulfonylamino]methyl]benzenecarbothioamide
CID 62312387
3-chloro-4-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 25039269
4-chloro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide
CID 18131225
6-amino-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide
CID 62162273

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzenesulfonamide (CID 31113443) is 4-chloro-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzenesulfonamide is O=S(=O)(NCc1ccc(OCC(F)(F)F)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzenesulfonamide?
The InChIKey is ODIHNNAQQBVYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NO3S/c16-12-3-7-14(8-4-12)24(21,22)20-9-11-1-5-13(6-2-11)23-10-15(17,18)19/h1-8,20H,9-10H2.
What are the key properties of 4-chloro-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzenesulfonamide?
4-chloro-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzenesulfonamide has a molecular weight of 379.79 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 31113443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).