4-(5-chloro-2-methylbenzoyl)piperazine-1-sulfonamide

C12H16ClN3O3S — CID 115532362

IUPAC4-(5-chloro-2-methylbenzoyl)piperazine-1-sulfonamide
SMILESCc1ccc(Cl)cc1C(=O)N1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C12H16ClN3O3S/c1-9-2-3-10(13)8-11(9)12(17)15-4-6-16(7-5-15)20(14,18)19/h2-3,8H,4-7H2,1H3,(H2,14,18,19)
InChIKeyVMOSOHXINVHTOA-UHFFFAOYSA-N
MW317.80 g/mol
LogP0.61
Rot. Bonds2

About 4-(5-chloro-2-methylbenzoyl)piperazine-1-sulfonamide

4-(5-chloro-2-methylbenzoyl)piperazine-1-sulfonamide (PubChem CID 115532362) has the molecular formula C12H16ClN3O3S and a molecular weight of 317.80 g/mol. Its IUPAC name is 4-(5-chloro-2-methylbenzoyl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(5-chloro-2-methylbenzoyl)piperazine-1-sulfonamide
PubChem CID115532362
Molecular FormulaC12H16ClN3O3S
Molecular Weight317.80 g/mol
Exact Mass317.06
IUPAC Name4-(5-chloro-2-methylbenzoyl)piperazine-1-sulfonamide
SMILESCc1ccc(Cl)cc1C(=O)N1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C12H16ClN3O3S/c1-9-2-3-10(13)8-11(9)12(17)15-4-6-16(7-5-15)20(14,18)19/h2-3,8H,4-7H2,1H3,(H2,14,18,19)
InChIKeyVMOSOHXINVHTOA-UHFFFAOYSA-N
XLogP0.61
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-2-hydroxyphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 47122991
(2,5-dichlorophenyl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 27514595
(5-chloro-2-fluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 47136662
(5-chloro-2-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 115532894
(5-amino-2-methylphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 61292135
[4-(2-aminoethyl)piperidin-1-yl]-(5-chloro-2-methylphenyl)methanone
CID 82883937
(2,4-dichlorophenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 27562835
(2,5-dimethylphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 47122985
(5-amino-2-methylphenyl)-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 120639560
(5-chloro-2-methylphenyl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 82883631
4-(2,5-dichlorothiophene-3-carbonyl)piperazine-1-sulfonamide
CID 95979713
4-(5-amino-2-fluoro-3-methylbenzoyl)piperazine-1-sulfonamide
CID 103296196

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methylbenzoyl)piperazine-1-sulfonamide?
The IUPAC name of 4-(5-chloro-2-methylbenzoyl)piperazine-1-sulfonamide (CID 115532362) is 4-(5-chloro-2-methylbenzoyl)piperazine-1-sulfonamide.
What is the SMILES notation for 4-(5-chloro-2-methylbenzoyl)piperazine-1-sulfonamide?
The canonical SMILES for 4-(5-chloro-2-methylbenzoyl)piperazine-1-sulfonamide is Cc1ccc(Cl)cc1C(=O)N1CCN(S(N)(=O)=O)CC1.
What is the InChIKey of 4-(5-chloro-2-methylbenzoyl)piperazine-1-sulfonamide?
The InChIKey is VMOSOHXINVHTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O3S/c1-9-2-3-10(13)8-11(9)12(17)15-4-6-16(7-5-15)20(14,18)19/h2-3,8H,4-7H2,1H3,(H2,14,18,19).
What are the key properties of 4-(5-chloro-2-methylbenzoyl)piperazine-1-sulfonamide?
4-(5-chloro-2-methylbenzoyl)piperazine-1-sulfonamide has a molecular weight of 317.80 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methylbenzoyl)piperazine-1-sulfonamide is sourced from PubChem (CID 115532362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).