1-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]methanesulfonamide

C14H10Cl2F3NO2S — CID 18891357

IUPAC1-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)cc1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C14H10Cl2F3NO2S/c15-11-4-1-9(2-5-11)8-23(21,22)20-13-7-10(14(17,18)19)3-6-12(13)16/h1-7,20H,8H2
InChIKeyPRYDNZHYOBFRLM-UHFFFAOYSA-N
MW384.21 g/mol
LogP4.95
Rot. Bonds4

About 1-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]methanesulfonamide

1-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 18891357) has the molecular formula C14H10Cl2F3NO2S and a molecular weight of 384.21 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID18891357
Molecular FormulaC14H10Cl2F3NO2S
Molecular Weight384.21 g/mol
Exact Mass382.98
IUPAC Name1-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)cc1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C14H10Cl2F3NO2S/c15-11-4-1-9(2-5-11)8-23(21,22)20-13-7-10(14(17,18)19)3-6-12(13)16/h1-7,20H,8H2
InChIKeyPRYDNZHYOBFRLM-UHFFFAOYSA-N
XLogP4.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.21
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-(2,5-dichlorophenyl)methanesulfonamide
CID 18891286
2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]ethanesulfonamide
CID 113220712
N-(2-chloro-5-nitrophenyl)-1-(4-chlorophenyl)methanesulfonamide
CID 18891447
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenoxyethanesulfonamide
CID 90518166
N-[2-fluoro-5-(trifluoromethyl)phenyl]ethanesulfonamide
CID 22773510
1-[(4-chlorophenyl)methylsulfonyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 92642592
2-[(4-chlorophenyl)methylamino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 1286761
N-[(4-chlorophenyl)methyl]-2-[2-chloro-5-(trifluoromethyl)anilino]acetamide
CID 108998258
2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]ethanesulfonamide
CID 63037026
2-benzylsulfonyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 2162964
1-[4-(aminomethyl)phenyl]-N-(2,4-dichlorophenyl)methanesulfonamide
CID 106057447
1-[3-(aminomethyl)phenyl]-N-(2,5-dichlorophenyl)methanesulfonamide
CID 106037003

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]methanesulfonamide (CID 18891357) is 1-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]methanesulfonamide is O=S(=O)(Cc1ccc(Cl)cc1)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is PRYDNZHYOBFRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F3NO2S/c15-11-4-1-9(2-5-11)8-23(21,22)20-13-7-10(14(17,18)19)3-6-12(13)16/h1-7,20H,8H2.
What are the key properties of 1-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]methanesulfonamide?
1-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 384.21 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 18891357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).