3-chloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-methylbenzenesulfonamide

C19H24ClN3O2S — CID 39629010

IUPAC3-chloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-methylbenzenesulfonamide
SMILESCCN1CCN(c2ccccc2NS(=O)(=O)c2ccc(C)c(Cl)c2)CC1
InChIInChI=1S/C19H24ClN3O2S/c1-3-22-10-12-23(13-11-22)19-7-5-4-6-18(19)21-26(24,25)16-9-8-15(2)17(20)14-16/h4-9,14,21H,3,10-13H2,1-2H3
InChIKeyHZZVHGYCBHEOHQ-UHFFFAOYSA-N
MW393.94 g/mol
LogP3.59
Rot. Bonds5

About 3-chloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-methylbenzenesulfonamide

3-chloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-methylbenzenesulfonamide (PubChem CID 39629010) has the molecular formula C19H24ClN3O2S and a molecular weight of 393.94 g/mol. Its IUPAC name is 3-chloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-methylbenzenesulfonamide
PubChem CID39629010
Molecular FormulaC19H24ClN3O2S
Molecular Weight393.94 g/mol
Exact Mass393.13
IUPAC Name3-chloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-methylbenzenesulfonamide
SMILESCCN1CCN(c2ccccc2NS(=O)(=O)c2ccc(C)c(Cl)c2)CC1
InChIInChI=1S/C19H24ClN3O2S/c1-3-22-10-12-23(13-11-22)19-7-5-4-6-18(19)21-26(24,25)16-9-8-15(2)17(20)14-16/h4-9,14,21H,3,10-13H2,1-2H3
InChIKeyHZZVHGYCBHEOHQ-UHFFFAOYSA-N
XLogP3.59
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.94
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dichloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 17486851
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9030562
N-(2-bromophenyl)-3-chloro-4-methylbenzenesulfonamide
CID 47308881
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 17458980
3-[(3-chloro-4-methoxyphenyl)sulfonylamino]-4-(4-ethylpiperazin-1-yl)benzoic acid
CID 46291804
3,4-diethoxy-N-[2-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 9030810
2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-N-(2-piperidin-1-ylphenyl)benzamide
CID 24979952
N-[2-(4-acetylpiperazin-1-yl)phenyl]-4-methylbenzenesulfonamide
CID 169371936
3-(4-chlorophenyl)sulfonyl-N-[2-(4-ethylpiperazin-1-yl)phenyl]propanamide
CID 55361022
N-[2-(4-methylpiperazin-1-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9030807
3,4-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8841739
5-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-methylbenzamide
CID 120647841

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-methylbenzenesulfonamide (CID 39629010) is 3-chloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-methylbenzenesulfonamide is CCN1CCN(c2ccccc2NS(=O)(=O)c2ccc(C)c(Cl)c2)CC1.
What is the InChIKey of 3-chloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is HZZVHGYCBHEOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2S/c1-3-22-10-12-23(13-11-22)19-7-5-4-6-18(19)21-26(24,25)16-9-8-15(2)17(20)14-16/h4-9,14,21H,3,10-13H2,1-2H3.
What are the key properties of 3-chloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-methylbenzenesulfonamide?
3-chloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 393.94 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 39629010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).