N-[4-chloro-3-(4-ethylpiperazine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide

C20H24ClN3O3S — CID 92673000

IUPACN-[4-chloro-3-(4-ethylpiperazine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide
SMILESCCN1CCN(C(=O)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2Cl)CC1
InChIInChI=1S/C20H24ClN3O3S/c1-3-23-10-12-24(13-11-23)20(25)18-14-16(6-9-19(18)21)22-28(26,27)17-7-4-15(2)5-8-17/h4-9,14,22H,3,10-13H2,1-2H3
InChIKeyJZJGYVYWSQWHSY-UHFFFAOYSA-N
MW421.95 g/mol
LogP3.23
Rot. Bonds5

About N-[4-chloro-3-(4-ethylpiperazine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide

N-[4-chloro-3-(4-ethylpiperazine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide (PubChem CID 92673000) has the molecular formula C20H24ClN3O3S and a molecular weight of 421.95 g/mol. Its IUPAC name is N-[4-chloro-3-(4-ethylpiperazine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-3-(4-ethylpiperazine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide
PubChem CID92673000
Molecular FormulaC20H24ClN3O3S
Molecular Weight421.95 g/mol
Exact Mass421.12
IUPAC NameN-[4-chloro-3-(4-ethylpiperazine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide
SMILESCCN1CCN(C(=O)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2Cl)CC1
InChIInChI=1S/C20H24ClN3O3S/c1-3-23-10-12-24(13-11-23)20(25)18-14-16(6-9-19(18)21)22-28(26,27)17-7-4-15(2)5-8-17/h4-9,14,22H,3,10-13H2,1-2H3
InChIKeyJZJGYVYWSQWHSY-UHFFFAOYSA-N
XLogP3.23
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.95
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 2988153
N-[4-chloro-3-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 46771316
N-[3-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 46772956
N-[4-chloro-3-(2,3-dihydroindole-1-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 28631519
N-[4-chloro-3-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 30398633
4-chloro-N-(3-chloro-4-methylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 27258307
3-(4-ethylpiperazine-1-carbonyl)-N-(3-methylphenyl)benzenesulfonamide
CID 9336389
2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 28566679
3-(4-acetylpiperazine-1-carbonyl)-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 42992454
[2-chloro-5-(4-methylpiperidin-1-yl)sulfonylphenyl]-(4-ethylpiperazin-1-yl)methanone
CID 28591390
(5-amino-2-chlorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 16783879
2-chloro-N-(3,4-dichlorophenyl)-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 46778231

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(4-ethylpiperazine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-chloro-3-(4-ethylpiperazine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide (CID 92673000) is N-[4-chloro-3-(4-ethylpiperazine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-chloro-3-(4-ethylpiperazine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-chloro-3-(4-ethylpiperazine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide is CCN1CCN(C(=O)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2Cl)CC1.
What is the InChIKey of N-[4-chloro-3-(4-ethylpiperazine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is JZJGYVYWSQWHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3S/c1-3-23-10-12-24(13-11-23)20(25)18-14-16(6-9-19(18)21)22-28(26,27)17-7-4-15(2)5-8-17/h4-9,14,22H,3,10-13H2,1-2H3.
What are the key properties of N-[4-chloro-3-(4-ethylpiperazine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide?
N-[4-chloro-3-(4-ethylpiperazine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 421.95 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(4-ethylpiperazine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 92673000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).