2-chloro-4-[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoylamino]benzamide

C17H15ClF3N3O5S — CID 55641818

IUPAC2-chloro-4-[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoylamino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1Cl
InChIInChI=1S/C17H15ClF3N3O5S/c18-14-9-10(1-6-13(14)16(22)26)24-15(25)7-8-23-30(27,28)12-4-2-11(3-5-12)29-17(19,20)21/h1-6,9,23H,7-8H2,(H2,22,26)(H,24,25)
InChIKeyULLNKUKILNQENL-UHFFFAOYSA-N
MW465.84 g/mol
LogP2.64
Rot. Bonds8

About 2-chloro-4-[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoylamino]benzamide

2-chloro-4-[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoylamino]benzamide (PubChem CID 55641818) has the molecular formula C17H15ClF3N3O5S and a molecular weight of 465.84 g/mol. Its IUPAC name is 2-chloro-4-[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoylamino]benzamide.

Molecular Properties

Compound Name2-chloro-4-[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoylamino]benzamide
PubChem CID55641818
Molecular FormulaC17H15ClF3N3O5S
Molecular Weight465.84 g/mol
Exact Mass465.04
IUPAC Name2-chloro-4-[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoylamino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1Cl
InChIInChI=1S/C17H15ClF3N3O5S/c18-14-9-10(1-6-13(14)16(22)26)24-15(25)7-8-23-30(27,28)12-4-2-11(3-5-12)29-17(19,20)21/h1-6,9,23H,7-8H2,(H2,22,26)(H,24,25)
InChIKeyULLNKUKILNQENL-UHFFFAOYSA-N
XLogP2.64
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.84
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[4-[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoylamino]phenyl]carbamate
CID 55855713
3-[(3,4-dimethylphenyl)sulfonylamino]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 3300002
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 26560503
N-[4-(trifluoromethoxy)phenyl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 24538040
N-[(2-chlorophenyl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 26692097
N-[3-(piperidine-1-carbonyl)phenyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 55949978
N-propan-2-yl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 27648395
2-chloro-4-[3-(ethylamino)propanoylamino]benzamide
CID 62834524
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[4-(difluoromethoxy)phenyl]propanamide
CID 26800761
N-(1-benzylpyrazol-4-yl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 55947329
2-chloro-4-[4-(trifluoromethoxy)phenyl]benzamide
CID 134626175
N-(3,4-dichlorophenyl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 2402359

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoylamino]benzamide?
The IUPAC name of 2-chloro-4-[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoylamino]benzamide (CID 55641818) is 2-chloro-4-[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoylamino]benzamide.
What is the SMILES notation for 2-chloro-4-[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoylamino]benzamide?
The canonical SMILES for 2-chloro-4-[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoylamino]benzamide is NC(=O)c1ccc(NC(=O)CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1Cl.
What is the InChIKey of 2-chloro-4-[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoylamino]benzamide?
The InChIKey is ULLNKUKILNQENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3N3O5S/c18-14-9-10(1-6-13(14)16(22)26)24-15(25)7-8-23-30(27,28)12-4-2-11(3-5-12)29-17(19,20)21/h1-6,9,23H,7-8H2,(H2,22,26)(H,24,25).
What are the key properties of 2-chloro-4-[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoylamino]benzamide?
2-chloro-4-[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoylamino]benzamide has a molecular weight of 465.84 g/mol, XLogP of 2.64, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoylamino]benzamide is sourced from PubChem (CID 55641818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).