1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methoxy-5-methylphenyl)pyrrole-2-sulfonamide

C18H15ClF3N3O3S — CID 70138416

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methoxy-5-methylphenyl)pyrrole-2-sulfonamide
SMILESCOc1cc(C)cc(NS(=O)(=O)c2cccn2-c2ncc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C18H15ClF3N3O3S/c1-11-6-13(9-14(7-11)28-2)24-29(26,27)16-4-3-5-25(16)17-15(19)8-12(10-23-17)18(20,21)22/h3-10,24H,1-2H3
InChIKeyHQMNEMHJAVGHMG-UHFFFAOYSA-N
MW445.85 g/mol
LogP4.66
Rot. Bonds5

About 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methoxy-5-methylphenyl)pyrrole-2-sulfonamide

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methoxy-5-methylphenyl)pyrrole-2-sulfonamide (PubChem CID 70138416) has the molecular formula C18H15ClF3N3O3S and a molecular weight of 445.85 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methoxy-5-methylphenyl)pyrrole-2-sulfonamide.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methoxy-5-methylphenyl)pyrrole-2-sulfonamide
PubChem CID70138416
Molecular FormulaC18H15ClF3N3O3S
Molecular Weight445.85 g/mol
Exact Mass445.05
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methoxy-5-methylphenyl)pyrrole-2-sulfonamide
SMILESCOc1cc(C)cc(NS(=O)(=O)c2cccn2-c2ncc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C18H15ClF3N3O3S/c1-11-6-13(9-14(7-11)28-2)24-29(26,27)16-4-3-5-25(16)17-15(19)8-12(10-23-17)18(20,21)22/h3-10,24H,1-2H3
InChIKeyHQMNEMHJAVGHMG-UHFFFAOYSA-N
XLogP4.66
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.85
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-fluoro-3-methylphenyl)pyrrole-2-sulfonamide
CID 70138441
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-methylphenyl)pyrrole-2-sulfonamide
CID 90379792
1-(3-chloro-5-methyl-2-pyridinyl)-N-(4-chlorophenyl)pyrrole-2-sulfonamide
CID 157375331
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]sulfonylpiperazine
CID 5102340
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4-methoxyphenyl)methyl]pyrrole-2-carboxamide
CID 3702021
3-(3-chloro-5-methyl-2-pyridinyl)-N-(3,5-dimethylphenyl)imidazole-4-sulfonamide
CID 131973042
3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-(2-cyclobutylethyl)phenyl]imidazole-4-sulfonamide
CID 162601293
2-bromo-1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]ethanone
CID 87686993
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbonitrile
CID 3717416
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(1R)-1-(4-methylphenyl)ethyl]pyrrole-2-carboxamide
CID 143866892
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-phenoxyphenyl)pyrrole-2-carboxamide
CID 69084581
1-(3-chloro-2-pyridinyl)-N-(4-fluoro-3-methylphenyl)pyrrole-2-sulfonamide
CID 70139614

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methoxy-5-methylphenyl)pyrrole-2-sulfonamide?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methoxy-5-methylphenyl)pyrrole-2-sulfonamide (CID 70138416) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methoxy-5-methylphenyl)pyrrole-2-sulfonamide.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methoxy-5-methylphenyl)pyrrole-2-sulfonamide?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methoxy-5-methylphenyl)pyrrole-2-sulfonamide is COc1cc(C)cc(NS(=O)(=O)c2cccn2-c2ncc(C(F)(F)F)cc2Cl)c1.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methoxy-5-methylphenyl)pyrrole-2-sulfonamide?
The InChIKey is HQMNEMHJAVGHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF3N3O3S/c1-11-6-13(9-14(7-11)28-2)24-29(26,27)16-4-3-5-25(16)17-15(19)8-12(10-23-17)18(20,21)22/h3-10,24H,1-2H3.
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methoxy-5-methylphenyl)pyrrole-2-sulfonamide?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methoxy-5-methylphenyl)pyrrole-2-sulfonamide has a molecular weight of 445.85 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methoxy-5-methylphenyl)pyrrole-2-sulfonamide is sourced from PubChem (CID 70138416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).