2-[2-chloro-N-(4-chlorophenyl)sulfonyl-5-(trifluoromethyl)anilino]acetamide

C15H11Cl2F3N2O3S — CID 50893695

IUPAC2-[2-chloro-N-(4-chlorophenyl)sulfonyl-5-(trifluoromethyl)anilino]acetamide
SMILESNC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H11Cl2F3N2O3S/c16-10-2-4-11(5-3-10)26(24,25)22(8-14(21)23)13-7-9(15(18,19)20)1-6-12(13)17/h1-7H,8H2,(H2,21,23)
InChIKeyOQEVHJDDUYWORU-UHFFFAOYSA-N
MW427.23 g/mol
LogP3.69
Rot. Bonds5

About 2-[2-chloro-N-(4-chlorophenyl)sulfonyl-5-(trifluoromethyl)anilino]acetamide

2-[2-chloro-N-(4-chlorophenyl)sulfonyl-5-(trifluoromethyl)anilino]acetamide (PubChem CID 50893695) has the molecular formula C15H11Cl2F3N2O3S and a molecular weight of 427.23 g/mol. Its IUPAC name is 2-[2-chloro-N-(4-chlorophenyl)sulfonyl-5-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound Name2-[2-chloro-N-(4-chlorophenyl)sulfonyl-5-(trifluoromethyl)anilino]acetamide
PubChem CID50893695
Molecular FormulaC15H11Cl2F3N2O3S
Molecular Weight427.23 g/mol
Exact Mass425.98
IUPAC Name2-[2-chloro-N-(4-chlorophenyl)sulfonyl-5-(trifluoromethyl)anilino]acetamide
SMILESNC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H11Cl2F3N2O3S/c16-10-2-4-11(5-3-10)26(24,25)22(8-14(21)23)13-7-9(15(18,19)20)1-6-12(13)17/h1-7H,8H2,(H2,21,23)
InChIKeyOQEVHJDDUYWORU-UHFFFAOYSA-N
XLogP3.69
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.23
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-chloro-N-(2,5-dichlorophenyl)sulfonyl-5-(trifluoromethyl)anilino]acetic acid
CID 50893609
N-[2-[2-(aminomethyl)morpholin-4-yl]-2-oxoethyl]-4-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 142345107
N-[2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-2-oxoethyl]-4-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 142344801
2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]-N-(2,6-difluorophenyl)acetamide
CID 2207937
2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]-N-benzyl-N-methylacetamide
CID 1311493
propan-2-yl 2-[N-(4-acetamidophenyl)sulfonyl-2-chloro-5-(trifluoromethyl)anilino]acetate
CID 50889378
2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]-N-[3-[(4-chlorophenyl)methylsulfanyl]propyl]acetamide
CID 43893559
2-(N-(4-bromophenyl)sulfonyl-2,4,5-trichloroanilino)acetamide
CID 50895749
(2S)-2-[[2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]acetyl]-[(4-chlorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100678307
2-[N-(benzenesulfonyl)-2,4,5-trichloroanilino]acetamide
CID 50895400
2-[[2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]acetyl]-[(4-chlorophenyl)methyl]amino]-N-methylbutanamide
CID 132696669
2-[N-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)anilino]acetamide
CID 163543244

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-N-(4-chlorophenyl)sulfonyl-5-(trifluoromethyl)anilino]acetamide?
The IUPAC name of 2-[2-chloro-N-(4-chlorophenyl)sulfonyl-5-(trifluoromethyl)anilino]acetamide (CID 50893695) is 2-[2-chloro-N-(4-chlorophenyl)sulfonyl-5-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for 2-[2-chloro-N-(4-chlorophenyl)sulfonyl-5-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for 2-[2-chloro-N-(4-chlorophenyl)sulfonyl-5-(trifluoromethyl)anilino]acetamide is NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[2-chloro-N-(4-chlorophenyl)sulfonyl-5-(trifluoromethyl)anilino]acetamide?
The InChIKey is OQEVHJDDUYWORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2F3N2O3S/c16-10-2-4-11(5-3-10)26(24,25)22(8-14(21)23)13-7-9(15(18,19)20)1-6-12(13)17/h1-7H,8H2,(H2,21,23).
What are the key properties of 2-[2-chloro-N-(4-chlorophenyl)sulfonyl-5-(trifluoromethyl)anilino]acetamide?
2-[2-chloro-N-(4-chlorophenyl)sulfonyl-5-(trifluoromethyl)anilino]acetamide has a molecular weight of 427.23 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-N-(4-chlorophenyl)sulfonyl-5-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 50893695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).