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

C20H21ClF3N3O4S — CID 46426309

IUPAC4-chloro-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESCN(C)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c(C(F)(F)F)c1
InChIInChI=1S/C20H21ClF3N3O4S/c1-26(2)14-4-6-17(15(12-14)20(22,23)24)25-19(28)13-3-5-16(21)18(11-13)32(29,30)27-7-9-31-10-8-27/h3-6,11-12H,7-10H2,1-2H3,(H,25,28)
InChIKeyRIIKQYXBJKBNKV-UHFFFAOYSA-N
MW491.92 g/mol
LogP3.70
Rot. Bonds5

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

4-chloro-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 46426309) has the molecular formula C20H21ClF3N3O4S and a molecular weight of 491.92 g/mol. Its IUPAC name is 4-chloro-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
PubChem CID46426309
Molecular FormulaC20H21ClF3N3O4S
Molecular Weight491.92 g/mol
Exact Mass491.09
IUPAC Name4-chloro-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESCN(C)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c(C(F)(F)F)c1
InChIInChI=1S/C20H21ClF3N3O4S/c1-26(2)14-4-6-17(15(12-14)20(22,23)24)25-19(28)13-3-5-16(21)18(11-13)32(29,30)27-7-9-31-10-8-27/h3-6,11-12H,7-10H2,1-2H3,(H,25,28)
InChIKeyRIIKQYXBJKBNKV-UHFFFAOYSA-N
XLogP3.70
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.92
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26412442
4-chloro-N,N-dimethyl-3-morpholin-4-ylsulfonylbenzamide
CID 1092795
4-chloro-N-(2,5-difluorophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 26681560
4-chloro-3-morpholin-4-ylsulfonyl-N-(2,4,6-trimethylphenyl)benzamide
CID 7899792
4-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 26210559
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 92647835
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 18892289
5-chloro-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 43068414
N-butyl-4-chloro-N-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 52539969
4-chloro-N-(4-methylsulfanylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 26725964
4-chloro-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1379071
4-chloro-3-morpholin-4-ylsulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 42967013

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 4-chloro-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide (CID 46426309) is 4-chloro-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide is CN(C)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is RIIKQYXBJKBNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClF3N3O4S/c1-26(2)14-4-6-17(15(12-14)20(22,23)24)25-19(28)13-3-5-16(21)18(11-13)32(29,30)27-7-9-31-10-8-27/h3-6,11-12H,7-10H2,1-2H3,(H,25,28).
What are the key properties of 4-chloro-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide?
4-chloro-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 491.92 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 46426309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).