4-[[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]sulfamoyl]-1-methylpyrrole-2-carboxamide

C19H24ClFN4O4S — CID 55703338

IUPAC4-[[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]sulfamoyl]-1-methylpyrrole-2-carboxamide
SMILESCC1CN(C(CNS(=O)(=O)c2cc(C(N)=O)n(C)c2)c2c(F)cccc2Cl)CCO1
InChIInChI=1S/C19H24ClFN4O4S/c1-12-10-25(6-7-29-12)17(18-14(20)4-3-5-15(18)21)9-23-30(27,28)13-8-16(19(22)26)24(2)11-13/h3-5,8,11-12,17,23H,6-7,9-10H2,1-2H3,(H2,22,26)
InChIKeyXBOAMLMTDAXIPL-UHFFFAOYSA-N
MW458.94 g/mol
LogP1.66
Rot. Bonds7

About 4-[[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]sulfamoyl]-1-methylpyrrole-2-carboxamide

4-[[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]sulfamoyl]-1-methylpyrrole-2-carboxamide (PubChem CID 55703338) has the molecular formula C19H24ClFN4O4S and a molecular weight of 458.94 g/mol. Its IUPAC name is 4-[[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]sulfamoyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]sulfamoyl]-1-methylpyrrole-2-carboxamide
PubChem CID55703338
Molecular FormulaC19H24ClFN4O4S
Molecular Weight458.94 g/mol
Exact Mass458.12
IUPAC Name4-[[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]sulfamoyl]-1-methylpyrrole-2-carboxamide
SMILESCC1CN(C(CNS(=O)(=O)c2cc(C(N)=O)n(C)c2)c2c(F)cccc2Cl)CCO1
InChIInChI=1S/C19H24ClFN4O4S/c1-12-10-25(6-7-29-12)17(18-14(20)4-3-5-15(18)21)9-23-30(27,28)13-8-16(19(22)26)24(2)11-13/h3-5,8,11-12,17,23H,6-7,9-10H2,1-2H3,(H2,22,26)
InChIKeyXBOAMLMTDAXIPL-UHFFFAOYSA-N
XLogP1.66
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.94
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chloro-2-methylphenyl)-1-methyl-4-(morpholine-4-sulfonyl)-1H-pyrrole-2-carboxamide
CID 16034620
2-{N-[(2-chlorophenyl)methyl]-2-(1,1,3-trioxo-1lambda,2-benzothiazol-2-yl)acetamido}-N-(oxolan-2-ylmethyl)-2-(pyridin-2-yl)acetamide
CID 3192400
4-(Azepane-1-sulfonyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-1-methyl-1H-pyrrole-2-carboxamide
CID 16029068
N-[(4-Chlorophenyl)methyl]-1-methyl-4-(piperidine-1-sulfonyl)-1H-pyrrole-2-carboxamide
CID 16029229
N-(2,6-Dimethylphenyl)-1-methyl-4-(morpholine-4-sulfonyl)-1H-pyrrole-2-carboxamide
CID 16572567
N-(3-fluoro-4-methylphenyl)-1-methyl-4-(morpholine-4-sulfonyl)-1H-pyrrole-2-carboxamide
CID 17429903
N-[(2-Chlorophenyl)methyl]-1-methyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrrole-2-carboxamide
CID 22518959
N-(3-Chlorophenyl)-1-methyl-4-(morpholine-4-sulfonyl)-1H-pyrrole-2-carboxamide
CID 22519047
N-(2,3-dimethylphenyl)-1-methyl-4-(morpholine-4-sulfonyl)-1H-pyrrole-2-carboxamide
CID 22519059
1-methyl-4-morpholin-4-ylsulfonyl-N-(2-phenylethyl)pyrrole-2-carboxamide
CID 22519089
1-methyl-N-[2-(4-methylphenyl)ethyl]-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 22519090
N-(4-chlorobenzyl)-1-methyl-4-morpholinosulfonyl-pyrrole-2-carboxamide
CID 22519130

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]sulfamoyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-[[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]sulfamoyl]-1-methylpyrrole-2-carboxamide (CID 55703338) is 4-[[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]sulfamoyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-[[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]sulfamoyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-[[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]sulfamoyl]-1-methylpyrrole-2-carboxamide is CC1CN(C(CNS(=O)(=O)c2cc(C(N)=O)n(C)c2)c2c(F)cccc2Cl)CCO1.
What is the InChIKey of 4-[[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]sulfamoyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is XBOAMLMTDAXIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClFN4O4S/c1-12-10-25(6-7-29-12)17(18-14(20)4-3-5-15(18)21)9-23-30(27,28)13-8-16(19(22)26)24(2)11-13/h3-5,8,11-12,17,23H,6-7,9-10H2,1-2H3,(H2,22,26).
What are the key properties of 4-[[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]sulfamoyl]-1-methylpyrrole-2-carboxamide?
4-[[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]sulfamoyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 458.94 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]sulfamoyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 55703338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).