N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide

C19H18ClF3N2O5S — CID 18892289

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H18ClF3N2O5S/c1-29-16-5-2-12(10-17(16)31(27,28)25-6-8-30-9-7-25)18(26)24-15-11-13(19(21,22)23)3-4-14(15)20/h2-5,10-11H,6-9H2,1H3,(H,24,26)
InChIKeyRLBZNPXWLXXDFX-UHFFFAOYSA-N
MW478.88 g/mol
LogP3.64
Rot. Bonds5

About N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 18892289) has the molecular formula C19H18ClF3N2O5S and a molecular weight of 478.88 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
PubChem CID18892289
Molecular FormulaC19H18ClF3N2O5S
Molecular Weight478.88 g/mol
Exact Mass478.06
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H18ClF3N2O5S/c1-29-16-5-2-12(10-17(16)31(27,28)25-6-8-30-9-7-25)18(26)24-15-11-13(19(21,22)23)3-4-14(15)20/h2-5,10-11H,6-9H2,1H3,(H,24,26)
InChIKeyRLBZNPXWLXXDFX-UHFFFAOYSA-N
XLogP3.64
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.88
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892199
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(4-fluorophenyl)sulfanyl-3-morpholin-4-ylsulfonylbenzamide
CID 126479387
N-[3-chloro-2-(dimethylamino)phenyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 46458104
N-(3-chloro-4-methoxyphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 18892295
4-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 26210559
4-chloro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26412442
4-methoxy-N-[2-propoxy-5-(trifluoromethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 26175468
4-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]-N,3-dimethylbenzamide
CID 46465140
N-(4-chloro-3-cyanophenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 55480876
4-methoxy-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 2664930
4-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 26725545
N-(4-carbamoylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 7926425

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide (CID 18892289) is N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide is COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is RLBZNPXWLXXDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF3N2O5S/c1-29-16-5-2-12(10-17(16)31(27,28)25-6-8-30-9-7-25)18(26)24-15-11-13(19(21,22)23)3-4-14(15)20/h2-5,10-11H,6-9H2,1H3,(H,24,26).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 478.88 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 18892289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).