N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide

C20H24ClN5O3S — CID 55481157

IUPACN-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc(C)nn2-c2cccc(Cl)c2)n(C)c1
InChIInChI=1S/C20H24ClN5O3S/c1-5-25(6-2)30(28,29)17-12-18(24(4)13-17)20(27)22-19-10-14(3)23-26(19)16-9-7-8-15(21)11-16/h7-13H,5-6H2,1-4H3,(H,22,27)
InChIKeyUMBXCFPBPKGBCD-UHFFFAOYSA-N
MW449.96 g/mol
LogP3.46
Rot. Bonds7

About N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide

N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide (PubChem CID 55481157) has the molecular formula C20H24ClN5O3S and a molecular weight of 449.96 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide
PubChem CID55481157
Molecular FormulaC20H24ClN5O3S
Molecular Weight449.96 g/mol
Exact Mass449.13
IUPAC NameN-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc(C)nn2-c2cccc(Cl)c2)n(C)c1
InChIInChI=1S/C20H24ClN5O3S/c1-5-25(6-2)30(28,29)17-12-18(24(4)13-17)20(27)22-19-10-14(3)23-26(19)16-9-7-8-15(21)11-16/h7-13H,5-6H2,1-4H3,(H,22,27)
InChIKeyUMBXCFPBPKGBCD-UHFFFAOYSA-N
XLogP3.46
TPSA89.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.96
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide
CID 16574039
3-(diethylsulfamoyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide
CID 55502941
4-[(3-chlorophenyl)methyl-ethylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 47065074
4-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 2352147
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 38936658
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(cyclopropylsulfamoyl)benzamide
CID 55480738
4-(butan-2-ylsulfamoyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 55493759
5-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide
CID 55481154
2-amino-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 110459429
4-(diethylsulfamoyl)-N-[2-(dimethylsulfamoyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 55984075
2-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4,5-difluorobenzamide
CID 55377836
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-(methylsulfanylmethyl)benzamide
CID 55480086

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide (CID 55481157) is N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide is CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc(C)nn2-c2cccc(Cl)c2)n(C)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is UMBXCFPBPKGBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O3S/c1-5-25(6-2)30(28,29)17-12-18(24(4)13-17)20(27)22-19-10-14(3)23-26(19)16-9-7-8-15(21)11-16/h7-13H,5-6H2,1-4H3,(H,22,27).
What are the key properties of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide?
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 449.96 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 55481157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).