N-[(4-chlorophenyl)methyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide

C17H20ClN3O4S — CID 22519130

IUPACN-[(4-chlorophenyl)methyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C17H20ClN3O4S/c1-20-12-15(26(23,24)21-6-8-25-9-7-21)10-16(20)17(22)19-11-13-2-4-14(18)5-3-13/h2-5,10,12H,6-9,11H2,1H3,(H,19,22)
InChIKeyOLFOTTROOHLYKC-UHFFFAOYSA-N
MW397.88 g/mol
LogP1.63
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide

N-[(4-chlorophenyl)methyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide (PubChem CID 22519130) has the molecular formula C17H20ClN3O4S and a molecular weight of 397.88 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
PubChem CID22519130
Molecular FormulaC17H20ClN3O4S
Molecular Weight397.88 g/mol
Exact Mass397.09
IUPAC NameN-[(4-chlorophenyl)methyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C17H20ClN3O4S/c1-20-12-15(26(23,24)21-6-8-25-9-7-21)10-16(20)17(22)19-11-13-2-4-14(18)5-3-13/h2-5,10,12H,6-9,11H2,1H3,(H,19,22)
InChIKeyOLFOTTROOHLYKC-UHFFFAOYSA-N
XLogP1.63
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.88
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide (CID 22519130) is N-[(4-chlorophenyl)methyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide is Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
The InChIKey is OLFOTTROOHLYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O4S/c1-20-12-15(26(23,24)21-6-8-25-9-7-21)10-16(20)17(22)19-11-13-2-4-14(18)5-3-13/h2-5,10,12H,6-9,11H2,1H3,(H,19,22).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
N-[(4-chlorophenyl)methyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide has a molecular weight of 397.88 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 22519130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).