4-(3-chlorophenyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide

C17H26ClN3O2S — CID 46566639

IUPAC4-(3-chlorophenyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H26ClN3O2S/c1-19(16-7-3-2-4-8-16)24(22,23)21-12-10-20(11-13-21)17-9-5-6-15(18)14-17/h5-6,9,14,16H,2-4,7-8,10-13H2,1H3
InChIKeyHPTJWVVEBQFHPW-UHFFFAOYSA-N
MW371.93 g/mol
LogP2.97
Rot. Bonds4

About 4-(3-chlorophenyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide

4-(3-chlorophenyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide (PubChem CID 46566639) has the molecular formula C17H26ClN3O2S and a molecular weight of 371.93 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide
PubChem CID46566639
Molecular FormulaC17H26ClN3O2S
Molecular Weight371.93 g/mol
Exact Mass371.14
IUPAC Name4-(3-chlorophenyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H26ClN3O2S/c1-19(16-7-3-2-4-8-16)24(22,23)21-12-10-20(11-13-21)17-9-5-6-15(18)14-17/h5-6,9,14,16H,2-4,7-8,10-13H2,1H3
InChIKeyHPTJWVVEBQFHPW-UHFFFAOYSA-N
XLogP2.97
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.93
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide?
The IUPAC name of 4-(3-chlorophenyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide (CID 46566639) is 4-(3-chlorophenyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-(3-chlorophenyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide?
The canonical SMILES for 4-(3-chlorophenyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide is CN(C1CCCCC1)S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 4-(3-chlorophenyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide?
The InChIKey is HPTJWVVEBQFHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O2S/c1-19(16-7-3-2-4-8-16)24(22,23)21-12-10-20(11-13-21)17-9-5-6-15(18)14-17/h5-6,9,14,16H,2-4,7-8,10-13H2,1H3.
What are the key properties of 4-(3-chlorophenyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide?
4-(3-chlorophenyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide has a molecular weight of 371.93 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide is sourced from PubChem (CID 46566639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).