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

C22H28ClN3O3S — CID 53279477

IUPACN-(3-chloro-2-methylphenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-methylbenzenesulfonamide
SMILESCCN1CCN(C(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C22H28ClN3O3S/c1-4-24-12-14-25(15-13-24)22(27)16-26(21-7-5-6-20(23)18(21)3)30(28,29)19-10-8-17(2)9-11-19/h5-11H,4,12-16H2,1-3H3
InChIKeyGBELTNCFTBEEFU-UHFFFAOYSA-N
MW450.00 g/mol
LogP3.32
Rot. Bonds6

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

N-(3-chloro-2-methylphenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-methylbenzenesulfonamide (PubChem CID 53279477) has the molecular formula C22H28ClN3O3S and a molecular weight of 450.00 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-methylbenzenesulfonamide
PubChem CID53279477
Molecular FormulaC22H28ClN3O3S
Molecular Weight450.00 g/mol
Exact Mass449.15
IUPAC NameN-(3-chloro-2-methylphenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-methylbenzenesulfonamide
SMILESCCN1CCN(C(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C22H28ClN3O3S/c1-4-24-12-14-25(15-13-24)22(27)16-26(21-7-5-6-20(23)18(21)3)30(28,29)19-10-8-17(2)9-11-19/h5-11H,4,12-16H2,1-3H3
InChIKeyGBELTNCFTBEEFU-UHFFFAOYSA-N
XLogP3.32
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.00
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide
CID 1091470
N-(2-ethoxyphenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-methylbenzenesulfonamide
CID 21371946
ethyl 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetate
CID 50895722
N-(3-chloro-2-methylphenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]benzenesulfonamide
CID 7457407
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 92676647
N,N-dibenzyl-2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43891702
N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-N-(2,3-dichlorophenyl)-4-methylbenzenesulfonamide
CID 126416158
N-(3-chloro-2-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 846774
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-propylacetamide
CID 53279464
4-methyl-N-(2-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 1143165
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)benzenesulfonamide
CID 1090631
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100501304

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-methylbenzenesulfonamide (CID 53279477) is N-(3-chloro-2-methylphenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-methylbenzenesulfonamide is CCN1CCN(C(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-methylbenzenesulfonamide?
The InChIKey is GBELTNCFTBEEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O3S/c1-4-24-12-14-25(15-13-24)22(27)16-26(21-7-5-6-20(23)18(21)3)30(28,29)19-10-8-17(2)9-11-19/h5-11H,4,12-16H2,1-3H3.
What are the key properties of N-(3-chloro-2-methylphenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-methylbenzenesulfonamide?
N-(3-chloro-2-methylphenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-methylbenzenesulfonamide has a molecular weight of 450.00 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 53279477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).