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

C17H26ClN3O3S — CID 99969242

IUPAC4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-pentylbenzamide
SMILESCCCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C17H26ClN3O3S/c1-3-4-5-8-19-17(22)14-6-7-15(18)16(13-14)25(23,24)21-11-9-20(2)10-12-21/h6-7,13H,3-5,8-12H2,1-2H3,(H,19,22)
InChIKeyHKDBCWQGHQAZEY-UHFFFAOYSA-N
MW387.93 g/mol
LogP2.20
Rot. Bonds7

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

4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-pentylbenzamide (PubChem CID 99969242) has the molecular formula C17H26ClN3O3S and a molecular weight of 387.93 g/mol. Its IUPAC name is 4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-pentylbenzamide.

Molecular Properties

Compound Name4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-pentylbenzamide
PubChem CID99969242
Molecular FormulaC17H26ClN3O3S
Molecular Weight387.93 g/mol
Exact Mass387.14
IUPAC Name4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-pentylbenzamide
SMILESCCCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C17H26ClN3O3S/c1-3-4-5-8-19-17(22)14-6-7-15(18)16(13-14)25(23,24)21-11-9-20(2)10-12-21/h6-7,13H,3-5,8-12H2,1-2H3,(H,19,22)
InChIKeyHKDBCWQGHQAZEY-UHFFFAOYSA-N
XLogP2.20
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.93
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-propylbenzamide
CID 70702635
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-N-[3-(4-ethylpiperazin-1-yl)propyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55660146
N-hexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 8886322
4-methoxy-N-pentyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 40742279
4-chloro-N-[(3-methylphenyl)methyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99969266
4-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-propylbenzamide
CID 27256223
4-chloro-N-(2-piperidin-1-ylethyl)-3-piperidin-1-ylsulfonylbenzamide
CID 55723998
4-chloro-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 56919777
4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-(3-phenylpropyl)benzamide
CID 99968757
4-chloro-N-pentyl-3-(phenylsulfamoyl)benzamide
CID 126415696

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-pentylbenzamide?
The IUPAC name of 4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-pentylbenzamide (CID 99969242) is 4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-pentylbenzamide.
What is the SMILES notation for 4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-pentylbenzamide?
The canonical SMILES for 4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-pentylbenzamide is CCCCCNC(=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-pentylbenzamide?
The InChIKey is HKDBCWQGHQAZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O3S/c1-3-4-5-8-19-17(22)14-6-7-15(18)16(13-14)25(23,24)21-11-9-20(2)10-12-21/h6-7,13H,3-5,8-12H2,1-2H3,(H,19,22).
What are the key properties of 4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-pentylbenzamide?
4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-pentylbenzamide has a molecular weight of 387.93 g/mol, XLogP of 2.20, 7 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-pentylbenzamide is sourced from PubChem (CID 99969242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).