1,2,5-trimethyl-4-(morpholine-4-carbonyl)-N-[4-(trifluoromethoxy)phenyl]pyrrole-3-sulfonamide

C19H22F3N3O5S — CID 24790914

IUPAC1,2,5-trimethyl-4-(morpholine-4-carbonyl)-N-[4-(trifluoromethoxy)phenyl]pyrrole-3-sulfonamide
SMILESCc1c(C(=O)N2CCOCC2)c(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)c(C)n1C
InChIInChI=1S/C19H22F3N3O5S/c1-12-16(18(26)25-8-10-29-11-9-25)17(13(2)24(12)3)31(27,28)23-14-4-6-15(7-5-14)30-19(20,21)22/h4-7,23H,8-11H2,1-3H3
InChIKeyXWIPVXKVUIBREP-UHFFFAOYSA-N
MW461.46 g/mol
LogP2.81
Rot. Bonds5

About 1,2,5-trimethyl-4-(morpholine-4-carbonyl)-N-[4-(trifluoromethoxy)phenyl]pyrrole-3-sulfonamide

1,2,5-trimethyl-4-(morpholine-4-carbonyl)-N-[4-(trifluoromethoxy)phenyl]pyrrole-3-sulfonamide (PubChem CID 24790914) has the molecular formula C19H22F3N3O5S and a molecular weight of 461.46 g/mol. Its IUPAC name is 1,2,5-trimethyl-4-(morpholine-4-carbonyl)-N-[4-(trifluoromethoxy)phenyl]pyrrole-3-sulfonamide.

Molecular Properties

Compound Name1,2,5-trimethyl-4-(morpholine-4-carbonyl)-N-[4-(trifluoromethoxy)phenyl]pyrrole-3-sulfonamide
PubChem CID24790914
Molecular FormulaC19H22F3N3O5S
Molecular Weight461.46 g/mol
Exact Mass461.12
IUPAC Name1,2,5-trimethyl-4-(morpholine-4-carbonyl)-N-[4-(trifluoromethoxy)phenyl]pyrrole-3-sulfonamide
SMILESCc1c(C(=O)N2CCOCC2)c(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)c(C)n1C
InChIInChI=1S/C19H22F3N3O5S/c1-12-16(18(26)25-8-10-29-11-9-25)17(13(2)24(12)3)31(27,28)23-14-4-6-15(7-5-14)30-19(20,21)22/h4-7,23H,8-11H2,1-3H3
InChIKeyXWIPVXKVUIBREP-UHFFFAOYSA-N
XLogP2.81
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.46
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-{[4-(4-Methoxyphenyl)piperazin-1-YL]sulfonyl}-1,2,5-trimethyl-1H-pyrrole-3-carbonyl)morpholine
CID 20945598
N-[4-[[4-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethoxy]phenyl]-methylsulfamoyl]phenyl]acetamide
CID 4788842
4-acetyl-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 3618401
N-[4-[[4-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethoxy]phenyl]-methylsulfamoyl]phenyl]acetamide
CID 4848333
Ethyl 4-({2-[4-(2-methoxyphenyl)piperazin-1-YL]-2-oxoethyl}(methyl)sulfamoyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 16025534
4-(Azepane-1-carbonyl)-1,2,5-trimethyl-N-[4-(trifluoromethoxy)phenyl]-1H-pyrrole-3-sulfonamide
CID 16026538
1,2,5-Trimethyl-4-(4-methylpiperidine-1-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-1H-pyrrole-3-sulfonamide
CID 16027833
N-(2,5-Diethoxyphenyl)-1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 16027837
Ethyl 4-({2-[4-(2-methoxyphenyl)piperazin-1-YL]-2-oxoethyl}sulfamoyl)-1,2,5-trimethyl-1H-pyrrole-3-carboxylate
CID 16033384
1-{[2,5-Dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-YL]sulfonyl}-4-(2-methoxyphenyl)piperazine
CID 20945069
4-(4-{[4-(2-Methoxyphenyl)piperazin-1-YL]sulfonyl}-1,2,5-trimethyl-1H-pyrrole-3-carbonyl)morpholine
CID 20945555
4-(Azepane-1-carbonyl)-N-(4-methoxyphenyl)-1,2,5-trimethyl-1H-pyrrole-3-sulfonamide
CID 20945626

Frequently Asked Questions

What is the IUPAC name of 1,2,5-trimethyl-4-(morpholine-4-carbonyl)-N-[4-(trifluoromethoxy)phenyl]pyrrole-3-sulfonamide?
The IUPAC name of 1,2,5-trimethyl-4-(morpholine-4-carbonyl)-N-[4-(trifluoromethoxy)phenyl]pyrrole-3-sulfonamide (CID 24790914) is 1,2,5-trimethyl-4-(morpholine-4-carbonyl)-N-[4-(trifluoromethoxy)phenyl]pyrrole-3-sulfonamide.
What is the SMILES notation for 1,2,5-trimethyl-4-(morpholine-4-carbonyl)-N-[4-(trifluoromethoxy)phenyl]pyrrole-3-sulfonamide?
The canonical SMILES for 1,2,5-trimethyl-4-(morpholine-4-carbonyl)-N-[4-(trifluoromethoxy)phenyl]pyrrole-3-sulfonamide is Cc1c(C(=O)N2CCOCC2)c(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)c(C)n1C.
What is the InChIKey of 1,2,5-trimethyl-4-(morpholine-4-carbonyl)-N-[4-(trifluoromethoxy)phenyl]pyrrole-3-sulfonamide?
The InChIKey is XWIPVXKVUIBREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O5S/c1-12-16(18(26)25-8-10-29-11-9-25)17(13(2)24(12)3)31(27,28)23-14-4-6-15(7-5-14)30-19(20,21)22/h4-7,23H,8-11H2,1-3H3.
What are the key properties of 1,2,5-trimethyl-4-(morpholine-4-carbonyl)-N-[4-(trifluoromethoxy)phenyl]pyrrole-3-sulfonamide?
1,2,5-trimethyl-4-(morpholine-4-carbonyl)-N-[4-(trifluoromethoxy)phenyl]pyrrole-3-sulfonamide has a molecular weight of 461.46 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethyl-4-(morpholine-4-carbonyl)-N-[4-(trifluoromethoxy)phenyl]pyrrole-3-sulfonamide is sourced from PubChem (CID 24790914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).