2-chloro-5-pyrrolidin-1-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]benzamide

C18H16ClF3N2O3S — CID 26087816

IUPAC2-chloro-5-pyrrolidin-1-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl
InChIInChI=1S/C18H16ClF3N2O3S/c19-16-7-6-14(28(26,27)24-8-1-2-9-24)11-15(16)17(25)23-13-5-3-4-12(10-13)18(20,21)22/h3-7,10-11H,1-2,8-9H2,(H,23,25)
InChIKeyYQUWEULLEWKMKT-UHFFFAOYSA-N
MW432.85 g/mol
LogP4.40
Rot. Bonds4

About 2-chloro-5-pyrrolidin-1-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]benzamide

2-chloro-5-pyrrolidin-1-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 26087816) has the molecular formula C18H16ClF3N2O3S and a molecular weight of 432.85 g/mol. Its IUPAC name is 2-chloro-5-pyrrolidin-1-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-pyrrolidin-1-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID26087816
Molecular FormulaC18H16ClF3N2O3S
Molecular Weight432.85 g/mol
Exact Mass432.05
IUPAC Name2-chloro-5-pyrrolidin-1-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl
InChIInChI=1S/C18H16ClF3N2O3S/c19-16-7-6-14(28(26,27)24-8-1-2-9-24)11-15(16)17(25)23-13-5-3-4-12(10-13)18(20,21)22/h3-7,10-11H,1-2,8-9H2,(H,23,25)
InChIKeyYQUWEULLEWKMKT-UHFFFAOYSA-N
XLogP4.40
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.85
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 1315383
2-chloro-N-(3-methylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 9341600
2-chloro-N-(3-methoxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26914552
2-chloro-5-(dimethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1310378
2-chloro-N-(3-methoxyphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26914652
2-chloro-N-(3-nitrophenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 1381657
2-methyl-5-piperidin-1-ylsulfonyl-N'-[3-(trifluoromethyl)phenyl]benzohydrazide
CID 55343487
N-(3-acetylphenyl)-2-chloro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 30880179
2-chloro-N-(3-cyclopentyloxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55563879
5-amino-2-chloro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 28543225
1-(4-piperidin-1-ylsulfonylphenyl)-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 53136007
2-chloro-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55737240

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-pyrrolidin-1-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-chloro-5-pyrrolidin-1-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]benzamide (CID 26087816) is 2-chloro-5-pyrrolidin-1-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-5-pyrrolidin-1-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-chloro-5-pyrrolidin-1-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]benzamide is O=C(Nc1cccc(C(F)(F)F)c1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl.
What is the InChIKey of 2-chloro-5-pyrrolidin-1-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is YQUWEULLEWKMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N2O3S/c19-16-7-6-14(28(26,27)24-8-1-2-9-24)11-15(16)17(25)23-13-5-3-4-12(10-13)18(20,21)22/h3-7,10-11H,1-2,8-9H2,(H,23,25).
What are the key properties of 2-chloro-5-pyrrolidin-1-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]benzamide?
2-chloro-5-pyrrolidin-1-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 432.85 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-pyrrolidin-1-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 26087816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).