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

C16H18ClN3O4S — CID 17425555

IUPACN-(2-chlorophenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccccc1Cl
InChIInChI=1S/C16H18ClN3O4S/c1-19-11-12(25(22,23)20-6-8-24-9-7-20)10-15(19)16(21)18-14-5-3-2-4-13(14)17/h2-5,10-11H,6-9H2,1H3,(H,18,21)
InChIKeyNGCSNYPKIRZNAW-UHFFFAOYSA-N
MW383.86 g/mol
LogP1.95
Rot. Bonds4

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

N-(2-chlorophenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide (PubChem CID 17425555) has the molecular formula C16H18ClN3O4S and a molecular weight of 383.86 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
PubChem CID17425555
Molecular FormulaC16H18ClN3O4S
Molecular Weight383.86 g/mol
Exact Mass383.07
IUPAC NameN-(2-chlorophenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccccc1Cl
InChIInChI=1S/C16H18ClN3O4S/c1-19-11-12(25(22,23)20-6-8-24-9-7-20)10-15(19)16(21)18-14-5-3-2-4-13(14)17/h2-5,10-11H,6-9H2,1H3,(H,18,21)
InChIKeyNGCSNYPKIRZNAW-UHFFFAOYSA-N
XLogP1.95
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.86
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-4-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)pyrrole-2-carboxamide
CID 55919434
1-methyl-N-(6-methyl-2-pyridinyl)-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 17405267
1-methyl-N-(4-methylsulfanylphenyl)-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 17407087
N-tert-butyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 22519046
1-methyl-N-(1-methyl-2-oxo-3-pyridinyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 75421055
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 34277486
1-methyl-4-morpholin-4-ylsulfonyl-N-(2-phenylethyl)pyrrole-2-carboxamide
CID 22519089
N-(2-chlorophenyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 18195774
N-(4-chloro-2-fluorophenyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 53087240
N-(4-chlorophenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 17399030
N-(3,5-dichlorophenyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55631483
N-(2,3-dihydroindol-1-ylsulfonyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 154836055

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide (CID 17425555) is N-(2-chlorophenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide is Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
The InChIKey is NGCSNYPKIRZNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O4S/c1-19-11-12(25(22,23)20-6-8-24-9-7-20)10-15(19)16(21)18-14-5-3-2-4-13(14)17/h2-5,10-11H,6-9H2,1H3,(H,18,21).
What are the key properties of N-(2-chlorophenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
N-(2-chlorophenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide has a molecular weight of 383.86 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 17425555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).