N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide

C22H17ClF4N2O4S — CID 30268898

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc2F)cc1
InChIInChI=1S/C22H17ClF4N2O4S/c1-33-15-7-9-16(10-8-15)34(31,32)29(20-5-3-2-4-18(20)24)13-21(30)28-19-12-14(22(25,26)27)6-11-17(19)23/h2-12H,13H2,1H3,(H,28,30)
InChIKeyLWFKBZCOXCRFCI-UHFFFAOYSA-N
MW516.90 g/mol
LogP5.34
Rot. Bonds7

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide (PubChem CID 30268898) has the molecular formula C22H17ClF4N2O4S and a molecular weight of 516.90 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
PubChem CID30268898
Molecular FormulaC22H17ClF4N2O4S
Molecular Weight516.90 g/mol
Exact Mass516.05
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc2F)cc1
InChIInChI=1S/C22H17ClF4N2O4S/c1-33-15-7-9-16(10-8-15)34(31,32)29(20-5-3-2-4-18(20)24)13-21(30)28-19-12-14(22(25,26)27)6-11-17(19)23/h2-12H,13H2,1H3,(H,28,30)
InChIKeyLWFKBZCOXCRFCI-UHFFFAOYSA-N
XLogP5.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.90
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 2194413
N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 43901440
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 126123779
2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 30264759
2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]-N-(2,6-difluorophenyl)acetamide
CID 2207937
2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(3-fluorophenyl)acetamide
CID 30266194
N-tert-butyl-2-[[2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 30276214
N-(2,5-dimethoxyphenyl)-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1363111
ethyl 2-chloro-4-[[2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]benzoate
CID 30275557
2-[benzenesulfonyl(methyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 1315546
2-[[2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]-N-propylbenzamide
CID 30271198
N-(4-ethylphenyl)-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 30262115

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide (CID 30268898) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide is COc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc2F)cc1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide?
The InChIKey is LWFKBZCOXCRFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClF4N2O4S/c1-33-15-7-9-16(10-8-15)34(31,32)29(20-5-3-2-4-18(20)24)13-21(30)28-19-12-14(22(25,26)27)6-11-17(19)23/h2-12H,13H2,1H3,(H,28,30).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide has a molecular weight of 516.90 g/mol, XLogP of 5.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 30268898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).