N-[3-(4-ethylpiperazine-1-carbonyl)phenyl]benzenesulfonamide;N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide

C37H44N6O6S2 — CID 158352401

IUPACN-[3-(4-ethylpiperazine-1-carbonyl)phenyl]benzenesulfonamide;N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCCN1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)CC1.CN1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)CC1
InChIInChI=1S/C19H23N3O3S.C18H21N3O3S/c1-2-21-11-13-22(14-12-21)19(23)16-7-6-8-17(15-16)20-26(24,25)18-9-4-3-5-10-18;1-20-10-12-21(13-11-20)18(22)15-6-5-7-16(14-15)19-25(23,24)17-8-3-2-4-9-17/h3-10,15,20H,2,11-14H2,1H3;2-9,14,19H,10-13H2,1H3
InChIKeyGSMBBOLDKUFTEB-UHFFFAOYSA-N
MW732.93 g/mol
LogP4.14
Rot. Bonds9

About N-[3-(4-ethylpiperazine-1-carbonyl)phenyl]benzenesulfonamide;N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide

N-[3-(4-ethylpiperazine-1-carbonyl)phenyl]benzenesulfonamide;N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide (PubChem CID 158352401) has the molecular formula C37H44N6O6S2 and a molecular weight of 732.93 g/mol. Its IUPAC name is N-[3-(4-ethylpiperazine-1-carbonyl)phenyl]benzenesulfonamide;N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(4-ethylpiperazine-1-carbonyl)phenyl]benzenesulfonamide;N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
PubChem CID158352401
Molecular FormulaC37H44N6O6S2
Molecular Weight732.93 g/mol
Exact Mass732.28
IUPAC NameN-[3-(4-ethylpiperazine-1-carbonyl)phenyl]benzenesulfonamide;N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCCN1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)CC1.CN1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)CC1
InChIInChI=1S/C19H23N3O3S.C18H21N3O3S/c1-2-21-11-13-22(14-12-21)19(23)16-7-6-8-17(15-16)20-26(24,25)18-9-4-3-5-10-18;1-20-10-12-21(13-11-20)18(22)15-6-5-7-16(14-15)19-25(23,24)17-8-3-2-4-9-17/h3-10,15,20H,2,11-14H2,1H3;2-9,14,19H,10-13H2,1H3
InChIKeyGSMBBOLDKUFTEB-UHFFFAOYSA-N
XLogP4.14
TPSA139.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500732.93
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[3-(4-ethylpiperazine-1-carbonyl)phenyl]benzenesulfonamide;N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide with MolForge

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Related Compounds

3-(4-ethylpiperazine-1-carbonyl)-N-(3-methylphenyl)benzenesulfonamide
CID 9336389
N-[3-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]propane-1-sulfonamide
CID 78846925
1-[3-(benzenesulfonamido)benzoyl]-N-methylpiperidine-4-carboxamide
CID 20974043
N-[3-(4-benzoylpiperazin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 5295909
N-[3-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]benzenesulfonamide
CID 55349182
3-(azepane-1-carbonyl)-N-phenylbenzenesulfonamide
CID 56919558
N-[4-chloro-3-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 46771316
N-methyl-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 51160647
N-(4-methoxyphenyl)-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 7908038
N-[4-fluoro-3-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 118582208
N-cyclohexyl-3-(4-ethylpiperazine-1-carbonyl)benzenesulfonamide
CID 109063351
N-[3-(azepane-1-carbonyl)phenyl]-4-ethoxybenzenesulfonamide
CID 7398605

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylpiperazine-1-carbonyl)phenyl]benzenesulfonamide;N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of N-[3-(4-ethylpiperazine-1-carbonyl)phenyl]benzenesulfonamide;N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide (CID 158352401) is N-[3-(4-ethylpiperazine-1-carbonyl)phenyl]benzenesulfonamide;N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[3-(4-ethylpiperazine-1-carbonyl)phenyl]benzenesulfonamide;N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[3-(4-ethylpiperazine-1-carbonyl)phenyl]benzenesulfonamide;N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide is CCN1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)CC1.CN1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)CC1.
What is the InChIKey of N-[3-(4-ethylpiperazine-1-carbonyl)phenyl]benzenesulfonamide;N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is GSMBBOLDKUFTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S.C18H21N3O3S/c1-2-21-11-13-22(14-12-21)19(23)16-7-6-8-17(15-16)20-26(24,25)18-9-4-3-5-10-18;1-20-10-12-21(13-11-20)18(22)15-6-5-7-16(14-15)19-25(23,24)17-8-3-2-4-9-17/h3-10,15,20H,2,11-14H2,1H3;2-9,14,19H,10-13H2,1H3.
What are the key properties of N-[3-(4-ethylpiperazine-1-carbonyl)phenyl]benzenesulfonamide;N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide?
N-[3-(4-ethylpiperazine-1-carbonyl)phenyl]benzenesulfonamide;N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 732.93 g/mol, XLogP of 4.14, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylpiperazine-1-carbonyl)phenyl]benzenesulfonamide;N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 158352401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).