4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-propylbenzamide

C15H22ClN3O3S — CID 70702635

IUPAC4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C15H22ClN3O3S/c1-3-6-17-15(20)12-4-5-13(16)14(11-12)23(21,22)19-9-7-18(2)8-10-19/h4-5,11H,3,6-10H2,1-2H3,(H,17,20)
InChIKeyBSBSLKXZVBTMCN-UHFFFAOYSA-N
MW359.88 g/mol
LogP1.42
Rot. Bonds5

About 4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-propylbenzamide

4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-propylbenzamide (PubChem CID 70702635) has the molecular formula C15H22ClN3O3S and a molecular weight of 359.88 g/mol. Its IUPAC name is 4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-propylbenzamide.

Molecular Properties

Compound Name4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-propylbenzamide
PubChem CID70702635
Molecular FormulaC15H22ClN3O3S
Molecular Weight359.88 g/mol
Exact Mass359.11
IUPAC Name4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C15H22ClN3O3S/c1-3-6-17-15(20)12-4-5-13(16)14(11-12)23(21,22)19-9-7-18(2)8-10-19/h4-5,11H,3,6-10H2,1-2H3,(H,17,20)
InChIKeyBSBSLKXZVBTMCN-UHFFFAOYSA-N
XLogP1.42
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-pentylbenzamide
CID 99969242
4-chloro-N-[3-(dimethylamino)propyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 50875412
4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide
CID 99969256
4-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-propylbenzamide
CID 27256223
4-chloro-N-[(3-methylphenyl)methyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99969266
4-chloro-N-(2-piperidin-1-ylethyl)-3-piperidin-1-ylsulfonylbenzamide
CID 55723998
4-chloro-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 56919777
4-chloro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 8733033
4-chloro-N-[3-(4-ethylpiperazin-1-yl)propyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55660146
4-chloro-3-(3-methylpiperidin-1-yl)sulfonyl-N-[3-oxo-3-(propylamino)propyl]benzamide
CID 55953958
4-chloro-3-morpholin-4-ylsulfonyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 7581832
3-(tert-butylsulfamoyl)-4-chloro-N-propylbenzamide
CID 34827308

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-propylbenzamide?
The IUPAC name of 4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-propylbenzamide (CID 70702635) is 4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-propylbenzamide.
What is the SMILES notation for 4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-propylbenzamide?
The canonical SMILES for 4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-propylbenzamide is CCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(C)CC2)c1.
What is the InChIKey of 4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-propylbenzamide?
The InChIKey is BSBSLKXZVBTMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O3S/c1-3-6-17-15(20)12-4-5-13(16)14(11-12)23(21,22)19-9-7-18(2)8-10-19/h4-5,11H,3,6-10H2,1-2H3,(H,17,20).
What are the key properties of 4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-propylbenzamide?
4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-propylbenzamide has a molecular weight of 359.88 g/mol, XLogP of 1.42, 5 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)sulfonyl-N-propylbenzamide is sourced from PubChem (CID 70702635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).