N,N-diethyl-5-[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazine-1-carbonyl]-1-methylpyrrole-3-sulfonamide

C21H30N4O6S2 — CID 55863150

IUPACN,N-diethyl-5-[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazine-1-carbonyl]-1-methylpyrrole-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3O)CC2)n(C)c1
InChIInChI=1S/C21H30N4O6S2/c1-5-24(6-2)32(28,29)17-14-18(22(4)15-17)21(27)23-9-11-25(12-10-23)33(30,31)20-13-16(3)7-8-19(20)26/h7-8,13-15,26H,5-6,9-12H2,1-4H3
InChIKeyGBDLZTCBPKJOLZ-UHFFFAOYSA-N
MW498.63 g/mol
LogP1.22
Rot. Bonds7

About N,N-diethyl-5-[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazine-1-carbonyl]-1-methylpyrrole-3-sulfonamide

N,N-diethyl-5-[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazine-1-carbonyl]-1-methylpyrrole-3-sulfonamide (PubChem CID 55863150) has the molecular formula C21H30N4O6S2 and a molecular weight of 498.63 g/mol. Its IUPAC name is N,N-diethyl-5-[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazine-1-carbonyl]-1-methylpyrrole-3-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-5-[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazine-1-carbonyl]-1-methylpyrrole-3-sulfonamide
PubChem CID55863150
Molecular FormulaC21H30N4O6S2
Molecular Weight498.63 g/mol
Exact Mass498.16
IUPAC NameN,N-diethyl-5-[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazine-1-carbonyl]-1-methylpyrrole-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3O)CC2)n(C)c1
InChIInChI=1S/C21H30N4O6S2/c1-5-24(6-2)32(28,29)17-14-18(22(4)15-17)21(27)23-9-11-25(12-10-23)33(30,31)20-13-16(3)7-8-19(20)26/h7-8,13-15,26H,5-6,9-12H2,1-4H3
InChIKeyGBDLZTCBPKJOLZ-UHFFFAOYSA-N
XLogP1.22
TPSA120.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.63
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,3-dihydro-1,4-benzodioxin-6-yl-[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 55863290
[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]-(3-propoxyphenyl)methanone
CID 55862657
[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 55862141
N,N-diethyl-2-[4-(1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carbonyl)piperazin-1-yl]acetamide
CID 55452089
2-(4-bromophenoxy)-1-[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 55863802
4-(diethylsulfamoyl)-1-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrrole-2-carboxamide
CID 16574135
N,N-diethyl-1-methyl-5-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrole-3-sulfonamide
CID 51289202
[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 55862647
[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone
CID 55862404
N-[2-[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methylbenzamide
CID 55862646
[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 55862399
5-[(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)carbamoyl]-N,N-diethyl-1-methylpyrrole-3-sulfonamide
CID 55454599

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazine-1-carbonyl]-1-methylpyrrole-3-sulfonamide?
The IUPAC name of N,N-diethyl-5-[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazine-1-carbonyl]-1-methylpyrrole-3-sulfonamide (CID 55863150) is N,N-diethyl-5-[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazine-1-carbonyl]-1-methylpyrrole-3-sulfonamide.
What is the SMILES notation for N,N-diethyl-5-[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazine-1-carbonyl]-1-methylpyrrole-3-sulfonamide?
The canonical SMILES for N,N-diethyl-5-[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazine-1-carbonyl]-1-methylpyrrole-3-sulfonamide is CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3O)CC2)n(C)c1.
What is the InChIKey of N,N-diethyl-5-[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazine-1-carbonyl]-1-methylpyrrole-3-sulfonamide?
The InChIKey is GBDLZTCBPKJOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O6S2/c1-5-24(6-2)32(28,29)17-14-18(22(4)15-17)21(27)23-9-11-25(12-10-23)33(30,31)20-13-16(3)7-8-19(20)26/h7-8,13-15,26H,5-6,9-12H2,1-4H3.
What are the key properties of N,N-diethyl-5-[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazine-1-carbonyl]-1-methylpyrrole-3-sulfonamide?
N,N-diethyl-5-[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazine-1-carbonyl]-1-methylpyrrole-3-sulfonamide has a molecular weight of 498.63 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazine-1-carbonyl]-1-methylpyrrole-3-sulfonamide is sourced from PubChem (CID 55863150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).