N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide

C23H19ClF4N2O4S — CID 43891401

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NC(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C23H19ClF4N2O4S/c1-34-20-10-8-16(25)13-21(20)35(32,33)30-19(11-14-5-3-2-4-6-14)22(31)29-18-9-7-15(24)12-17(18)23(26,27)28/h2-10,12-13,19,30H,11H2,1H3,(H,29,31)
InChIKeyIAVFWSIAKSJEJB-UHFFFAOYSA-N
MW530.93 g/mol
LogP5.03
Rot. Bonds8

About N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide (PubChem CID 43891401) has the molecular formula C23H19ClF4N2O4S and a molecular weight of 530.93 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
PubChem CID43891401
Molecular FormulaC23H19ClF4N2O4S
Molecular Weight530.93 g/mol
Exact Mass530.07
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NC(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C23H19ClF4N2O4S/c1-34-20-10-8-16(25)13-21(20)35(32,33)30-19(11-14-5-3-2-4-6-14)22(31)29-18-9-7-15(24)12-17(18)23(26,27)28/h2-10,12-13,19,30H,11H2,1H3,(H,29,31)
InChIKeyIAVFWSIAKSJEJB-UHFFFAOYSA-N
XLogP5.03
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.93
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-phenylpropanamide
CID 94860925
2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenyl-N-(2,3,4-trifluorophenyl)propanamide
CID 43871602
(2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28541204
(2S)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28541201
(2R)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-fluorophenyl)-3-phenylpropanamide
CID 28542641
(2R)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)-3-phenylpropanamide
CID 28542771
(2S)-N-(2,5-difluorophenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28540498
N-(2,4-dimethylphenyl)-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891324
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-ethylphenyl)-3-phenylpropanamide
CID 28542619
N-ethyl-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891290
N-(2,4-dichlorophenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43871086
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-phenoxyphenyl)-3-phenylpropanamide
CID 94861057

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide (CID 43891401) is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide is COc1ccc(F)cc1S(=O)(=O)NC(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide?
The InChIKey is IAVFWSIAKSJEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF4N2O4S/c1-34-20-10-8-16(25)13-21(20)35(32,33)30-19(11-14-5-3-2-4-6-14)22(31)29-18-9-7-15(24)12-17(18)23(26,27)28/h2-10,12-13,19,30H,11H2,1H3,(H,29,31).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide has a molecular weight of 530.93 g/mol, XLogP of 5.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide is sourced from PubChem (CID 43891401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).