4-chloro-3-(4-methylpiperazin-1-yl)sulfonylbenzamide

C12H16ClN3O3S — CID 56919777

IUPAC4-chloro-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
SMILESCN1CCN(S(=O)(=O)c2cc(C(N)=O)ccc2Cl)CC1
InChIInChI=1S/C12H16ClN3O3S/c1-15-4-6-16(7-5-15)20(18,19)11-8-9(12(14)17)2-3-10(11)13/h2-3,8H,4-7H2,1H3,(H2,14,17)
InChIKeyOQQRYBILSOZPBR-UHFFFAOYSA-N
MW317.80 g/mol
LogP0.38
Rot. Bonds3

About 4-chloro-3-(4-methylpiperazin-1-yl)sulfonylbenzamide

4-chloro-3-(4-methylpiperazin-1-yl)sulfonylbenzamide (PubChem CID 56919777) has the molecular formula C12H16ClN3O3S and a molecular weight of 317.80 g/mol. Its IUPAC name is 4-chloro-3-(4-methylpiperazin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
PubChem CID56919777
Molecular FormulaC12H16ClN3O3S
Molecular Weight317.80 g/mol
Exact Mass317.06
IUPAC Name4-chloro-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
SMILESCN1CCN(S(=O)(=O)c2cc(C(N)=O)ccc2Cl)CC1
InChIInChI=1S/C12H16ClN3O3S/c1-15-4-6-16(7-5-15)20(18,19)11-8-9(12(14)17)2-3-10(11)13/h2-3,8H,4-7H2,1H3,(H2,14,17)
InChIKeyOQQRYBILSOZPBR-UHFFFAOYSA-N
XLogP0.38
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-3-(4-methylpiperazin-1-yl)sulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-propylbenzamide
CID 70702635
4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-pentylbenzamide
CID 99969242
4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-(3-methylsulfanylphenyl)benzamide
CID 99969227
4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide
CID 132666739
4-chloro-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]aniline
CID 28542859
4-chloro-N-[3-(dimethylamino)propyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 50875412
(3-carbamoylphenyl) 4-chloro-3-morpholin-4-ylsulfonylbenzoate
CID 55642988
4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide
CID 99969256
4-chloro-N-[(3-methylphenyl)methyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99969266
1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-methylpiperazine chloride
CID 53351945
4-chloro-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 30857697
3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyridazine
CID 121052944

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(4-methylpiperazin-1-yl)sulfonylbenzamide?
The IUPAC name of 4-chloro-3-(4-methylpiperazin-1-yl)sulfonylbenzamide (CID 56919777) is 4-chloro-3-(4-methylpiperazin-1-yl)sulfonylbenzamide.
What is the SMILES notation for 4-chloro-3-(4-methylpiperazin-1-yl)sulfonylbenzamide?
The canonical SMILES for 4-chloro-3-(4-methylpiperazin-1-yl)sulfonylbenzamide is CN1CCN(S(=O)(=O)c2cc(C(N)=O)ccc2Cl)CC1.
What is the InChIKey of 4-chloro-3-(4-methylpiperazin-1-yl)sulfonylbenzamide?
The InChIKey is OQQRYBILSOZPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O3S/c1-15-4-6-16(7-5-15)20(18,19)11-8-9(12(14)17)2-3-10(11)13/h2-3,8H,4-7H2,1H3,(H2,14,17).
What are the key properties of 4-chloro-3-(4-methylpiperazin-1-yl)sulfonylbenzamide?
4-chloro-3-(4-methylpiperazin-1-yl)sulfonylbenzamide has a molecular weight of 317.80 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(4-methylpiperazin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 56919777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).