N-ethyl-2-(4-methylpiperazin-1-yl)-5-(pyrrolidine-1-carbonyl)benzenesulfonamide

C18H28N4O3S — CID 99967080

IUPACN-ethyl-2-(4-methylpiperazin-1-yl)-5-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCCNS(=O)(=O)c1cc(C(=O)N2CCCC2)ccc1N1CCN(C)CC1
InChIInChI=1S/C18H28N4O3S/c1-3-19-26(24,25)17-14-15(18(23)22-8-4-5-9-22)6-7-16(17)21-12-10-20(2)11-13-21/h6-7,14,19H,3-5,8-13H2,1-2H3
InChIKeyCVZIMVXZVMHIRS-UHFFFAOYSA-N
MW380.51 g/mol
LogP0.97
Rot. Bonds5

About N-ethyl-2-(4-methylpiperazin-1-yl)-5-(pyrrolidine-1-carbonyl)benzenesulfonamide

N-ethyl-2-(4-methylpiperazin-1-yl)-5-(pyrrolidine-1-carbonyl)benzenesulfonamide (PubChem CID 99967080) has the molecular formula C18H28N4O3S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-ethyl-2-(4-methylpiperazin-1-yl)-5-(pyrrolidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-(4-methylpiperazin-1-yl)-5-(pyrrolidine-1-carbonyl)benzenesulfonamide
PubChem CID99967080
Molecular FormulaC18H28N4O3S
Molecular Weight380.51 g/mol
Exact Mass380.19
IUPAC NameN-ethyl-2-(4-methylpiperazin-1-yl)-5-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCCNS(=O)(=O)c1cc(C(=O)N2CCCC2)ccc1N1CCN(C)CC1
InChIInChI=1S/C18H28N4O3S/c1-3-19-26(24,25)17-14-15(18(23)22-8-4-5-9-22)6-7-16(17)21-12-10-20(2)11-13-21/h6-7,14,19H,3-5,8-13H2,1-2H3
InChIKeyCVZIMVXZVMHIRS-UHFFFAOYSA-N
XLogP0.97
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-3-(ethylsulfamoyl)-4-(4-methylpiperazin-1-yl)benzamide
CID 99967029
N-methyl-2-(4-methylpiperazin-1-yl)-5-(morpholine-4-carbonyl)benzenesulfonamide
CID 99967022
3-(ethylsulfamoyl)-4-(4-methylpiperazin-1-yl)-N-naphthalen-1-ylbenzamide
CID 99967054
4-(4-methylpiperazin-1-yl)-3-(prop-2-enylsulfamoyl)benzoic acid
CID 21430444
azepan-1-yl-(4-piperidin-1-yl-3-piperidin-1-ylsulfonylphenyl)methanone
CID 24531727
[4-(4-methylpiperazin-1-yl)-3-nitrophenyl]-piperidin-1-ylmethanone
CID 17431581
(3-methyl-4-pyrrolidin-1-ylphenyl)-pyrrolidin-1-ylmethanone
CID 168513476
N-cyclopropyl-2-fluoro-5-(4-methyl-1,4-diazepane-1-carbonyl)benzenesulfonamide
CID 78852420
2-fluoro-5-(piperidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
CID 134004887
[(2S)-1-ethylsulfonyl-2-methyl-2,3-dihydroindol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 92671037
N-(4-iodophenyl)-4-(4-methylpiperazin-1-yl)-3-(methylsulfamoyl)benzamide
CID 99966997
(1-methyl-2,3-dihydroindol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 110485510

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-methylpiperazin-1-yl)-5-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-ethyl-2-(4-methylpiperazin-1-yl)-5-(pyrrolidine-1-carbonyl)benzenesulfonamide (CID 99967080) is N-ethyl-2-(4-methylpiperazin-1-yl)-5-(pyrrolidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-2-(4-methylpiperazin-1-yl)-5-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-ethyl-2-(4-methylpiperazin-1-yl)-5-(pyrrolidine-1-carbonyl)benzenesulfonamide is CCNS(=O)(=O)c1cc(C(=O)N2CCCC2)ccc1N1CCN(C)CC1.
What is the InChIKey of N-ethyl-2-(4-methylpiperazin-1-yl)-5-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The InChIKey is CVZIMVXZVMHIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3S/c1-3-19-26(24,25)17-14-15(18(23)22-8-4-5-9-22)6-7-16(17)21-12-10-20(2)11-13-21/h6-7,14,19H,3-5,8-13H2,1-2H3.
What are the key properties of N-ethyl-2-(4-methylpiperazin-1-yl)-5-(pyrrolidine-1-carbonyl)benzenesulfonamide?
N-ethyl-2-(4-methylpiperazin-1-yl)-5-(pyrrolidine-1-carbonyl)benzenesulfonamide has a molecular weight of 380.51 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-methylpiperazin-1-yl)-5-(pyrrolidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 99967080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).