5-[4-(4-chlorophenyl)-2,2-dimethylpiperazin-1-yl]sulfonyl-2-methoxybenzamide

C20H24ClN3O4S — CID 139009484

IUPAC5-[4-(4-chlorophenyl)-2,2-dimethylpiperazin-1-yl]sulfonyl-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2(C)C)cc1C(N)=O
InChIInChI=1S/C20H24ClN3O4S/c1-20(2)13-23(15-6-4-14(21)5-7-15)10-11-24(20)29(26,27)16-8-9-18(28-3)17(12-16)19(22)25/h4-9,12H,10-11,13H2,1-3H3,(H2,22,25)
InChIKeyGYEJLFSAGUYGHR-UHFFFAOYSA-N
MW437.95 g/mol
LogP2.74
Rot. Bonds5

About 5-[4-(4-chlorophenyl)-2,2-dimethylpiperazin-1-yl]sulfonyl-2-methoxybenzamide

5-[4-(4-chlorophenyl)-2,2-dimethylpiperazin-1-yl]sulfonyl-2-methoxybenzamide (PubChem CID 139009484) has the molecular formula C20H24ClN3O4S and a molecular weight of 437.95 g/mol. Its IUPAC name is 5-[4-(4-chlorophenyl)-2,2-dimethylpiperazin-1-yl]sulfonyl-2-methoxybenzamide.

Molecular Properties

Compound Name5-[4-(4-chlorophenyl)-2,2-dimethylpiperazin-1-yl]sulfonyl-2-methoxybenzamide
PubChem CID139009484
Molecular FormulaC20H24ClN3O4S
Molecular Weight437.95 g/mol
Exact Mass437.12
IUPAC Name5-[4-(4-chlorophenyl)-2,2-dimethylpiperazin-1-yl]sulfonyl-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2(C)C)cc1C(N)=O
InChIInChI=1S/C20H24ClN3O4S/c1-20(2)13-23(15-6-4-14(21)5-7-15)10-11-24(20)29(26,27)16-8-9-18(28-3)17(12-16)19(22)25/h4-9,12H,10-11,13H2,1-3H3,(H2,22,25)
InChIKeyGYEJLFSAGUYGHR-UHFFFAOYSA-N
XLogP2.74
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.95
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(4-chlorophenyl)-2,2-dimethylpiperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide
CID 139009483
5-(3,3-dimethylmorpholin-4-yl)sulfonyl-2-methoxybenzamide
CID 146024510
2-methoxy-5-(4-methylsulfonylpiperazin-1-yl)sulfonylbenzamide
CID 171134280
2-methoxy-5-[(4-morpholin-4-ylphenyl)sulfamoyl]benzamide
CID 39324008
4-(4-chlorophenyl)-2,2-dimethyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine
CID 139009470
2-methoxy-5-(4-methyl-3-oxopiperazin-1-yl)sulfonylbenzamide
CID 146024506
2-methoxy-5-[4-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride
CID 119979778
5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-methoxybenzoic acid
CID 27241577
2-methoxy-5-sulfamoylbenzamide;hydrochloride
CID 22748858
2-[1-(3-carbamoyl-4-methoxyphenyl)sulfonylpiperidin-4-yl]acetic acid
CID 146024578
5-[[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]-2-methoxybenzamide
CID 122345792
2-[5-[2,2-dimethyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]sulfonyl-2-methylphenyl]acetic acid
CID 162581558

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-chlorophenyl)-2,2-dimethylpiperazin-1-yl]sulfonyl-2-methoxybenzamide?
The IUPAC name of 5-[4-(4-chlorophenyl)-2,2-dimethylpiperazin-1-yl]sulfonyl-2-methoxybenzamide (CID 139009484) is 5-[4-(4-chlorophenyl)-2,2-dimethylpiperazin-1-yl]sulfonyl-2-methoxybenzamide.
What is the SMILES notation for 5-[4-(4-chlorophenyl)-2,2-dimethylpiperazin-1-yl]sulfonyl-2-methoxybenzamide?
The canonical SMILES for 5-[4-(4-chlorophenyl)-2,2-dimethylpiperazin-1-yl]sulfonyl-2-methoxybenzamide is COc1ccc(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2(C)C)cc1C(N)=O.
What is the InChIKey of 5-[4-(4-chlorophenyl)-2,2-dimethylpiperazin-1-yl]sulfonyl-2-methoxybenzamide?
The InChIKey is GYEJLFSAGUYGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O4S/c1-20(2)13-23(15-6-4-14(21)5-7-15)10-11-24(20)29(26,27)16-8-9-18(28-3)17(12-16)19(22)25/h4-9,12H,10-11,13H2,1-3H3,(H2,22,25).
What are the key properties of 5-[4-(4-chlorophenyl)-2,2-dimethylpiperazin-1-yl]sulfonyl-2-methoxybenzamide?
5-[4-(4-chlorophenyl)-2,2-dimethylpiperazin-1-yl]sulfonyl-2-methoxybenzamide has a molecular weight of 437.95 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-chlorophenyl)-2,2-dimethylpiperazin-1-yl]sulfonyl-2-methoxybenzamide is sourced from PubChem (CID 139009484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).