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

C17H20ClN3O4S — CID 22519049

IUPACN-[(2-chlorophenyl)methyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccccc1Cl
InChIInChI=1S/C17H20ClN3O4S/c1-20-12-14(26(23,24)21-6-8-25-9-7-21)10-16(20)17(22)19-11-13-4-2-3-5-15(13)18/h2-5,10,12H,6-9,11H2,1H3,(H,19,22)
InChIKeyBUJVQOCETODWQL-UHFFFAOYSA-N
MW397.88 g/mol
LogP1.63
Rot. Bonds5

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

N-[(2-chlorophenyl)methyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide (PubChem CID 22519049) has the molecular formula C17H20ClN3O4S and a molecular weight of 397.88 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
PubChem CID22519049
Molecular FormulaC17H20ClN3O4S
Molecular Weight397.88 g/mol
Exact Mass397.09
IUPAC NameN-[(2-chlorophenyl)methyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccccc1Cl
InChIInChI=1S/C17H20ClN3O4S/c1-20-12-14(26(23,24)21-6-8-25-9-7-21)10-16(20)17(22)19-11-13-4-2-3-5-15(13)18/h2-5,10,12H,6-9,11H2,1H3,(H,19,22)
InChIKeyBUJVQOCETODWQL-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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Related Compounds

[2-[(1-Methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 16333854
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
1-(3-Chlorophenyl)-4-[1-methyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrrole-2-carbonyl]piperazine
CID 16017801
N-(2-ethylphenyl)-1-methyl-4-[(4-methylpiperidin-1-yl)sulfonyl]-1H-pyrrole-2-carboxamide
CID 16028968
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

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide (CID 22519049) is N-[(2-chlorophenyl)methyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide is Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
The InChIKey is BUJVQOCETODWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O4S/c1-20-12-14(26(23,24)21-6-8-25-9-7-21)10-16(20)17(22)19-11-13-4-2-3-5-15(13)18/h2-5,10,12H,6-9,11H2,1H3,(H,19,22).
What are the key properties of N-[(2-chlorophenyl)methyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
N-[(2-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-[(2-chlorophenyl)methyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 22519049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).