N-cyclohexyl-4-(4-ethylpiperazin-1-yl)sulfonylbenzamide

C19H29N3O3S — CID 109059487

IUPACN-cyclohexyl-4-(4-ethylpiperazin-1-yl)sulfonylbenzamide
SMILESCCN1CCN(S(=O)(=O)c2ccc(C(=O)NC3CCCCC3)cc2)CC1
InChIInChI=1S/C19H29N3O3S/c1-2-21-12-14-22(15-13-21)26(24,25)18-10-8-16(9-11-18)19(23)20-17-6-4-3-5-7-17/h8-11,17H,2-7,12-15H2,1H3,(H,20,23)
InChIKeyJKGQXKGNASOABH-UHFFFAOYSA-N
MW379.53 g/mol
LogP2.08
Rot. Bonds5

About N-cyclohexyl-4-(4-ethylpiperazin-1-yl)sulfonylbenzamide

N-cyclohexyl-4-(4-ethylpiperazin-1-yl)sulfonylbenzamide (PubChem CID 109059487) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is N-cyclohexyl-4-(4-ethylpiperazin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(4-ethylpiperazin-1-yl)sulfonylbenzamide
PubChem CID109059487
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC NameN-cyclohexyl-4-(4-ethylpiperazin-1-yl)sulfonylbenzamide
SMILESCCN1CCN(S(=O)(=O)c2ccc(C(=O)NC3CCCCC3)cc2)CC1
InChIInChI=1S/C19H29N3O3S/c1-2-21-12-14-22(15-13-21)26(24,25)18-10-8-16(9-11-18)19(23)20-17-6-4-3-5-7-17/h8-11,17H,2-7,12-15H2,1H3,(H,20,23)
InChIKeyJKGQXKGNASOABH-UHFFFAOYSA-N
XLogP2.08
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethylpiperidin-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9091107
4-(4-acetylpiperazin-1-yl)sulfonyl-N-(1-propylpiperidin-4-yl)benzamide
CID 55407115
N-[3-(cyclohexylamino)-3-oxopropyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 55951815
N-cyclopropyl-4-(4-formylpiperazin-1-yl)sulfonylbenzamide
CID 109058274
3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-cyclooctylbenzamide
CID 38102818
N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-4-ethoxybenzamide
CID 108560401
ethyl 4-[4-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperazin-1-yl]sulfonylbenzoate
CID 2998224
N-cyclopentyl-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]acetamide
CID 31344259
N-[(1S,2R)-2-methylcyclohexyl]-4-piperidin-1-ylsulfonylbenzamide
CID 9463751
N-cyclopropyl-4-(4-ethylpiperazin-1-yl)sulfonylbenzenesulfonamide
CID 1429249
N-cyclohexyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzamide
CID 100680992
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 55690874

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(4-ethylpiperazin-1-yl)sulfonylbenzamide?
The IUPAC name of N-cyclohexyl-4-(4-ethylpiperazin-1-yl)sulfonylbenzamide (CID 109059487) is N-cyclohexyl-4-(4-ethylpiperazin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-cyclohexyl-4-(4-ethylpiperazin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-cyclohexyl-4-(4-ethylpiperazin-1-yl)sulfonylbenzamide is CCN1CCN(S(=O)(=O)c2ccc(C(=O)NC3CCCCC3)cc2)CC1.
What is the InChIKey of N-cyclohexyl-4-(4-ethylpiperazin-1-yl)sulfonylbenzamide?
The InChIKey is JKGQXKGNASOABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-2-21-12-14-22(15-13-21)26(24,25)18-10-8-16(9-11-18)19(23)20-17-6-4-3-5-7-17/h8-11,17H,2-7,12-15H2,1H3,(H,20,23).
What are the key properties of N-cyclohexyl-4-(4-ethylpiperazin-1-yl)sulfonylbenzamide?
N-cyclohexyl-4-(4-ethylpiperazin-1-yl)sulfonylbenzamide has a molecular weight of 379.53 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(4-ethylpiperazin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 109059487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).