N-cyclohexyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide

C19H29N3O3S — CID 1072976

IUPACN-cyclohexyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
SMILESCN1CCN(C(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H29N3O3S/c1-20-12-14-21(15-13-20)19(23)16-22(17-8-4-2-5-9-17)26(24,25)18-10-6-3-7-11-18/h3,6-7,10-11,17H,2,4-5,8-9,12-16H2,1H3
InChIKeyDECQKGGCAQHKEB-UHFFFAOYSA-N
MW379.53 g/mol
LogP1.78
Rot. Bonds5

About N-cyclohexyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide

N-cyclohexyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide (PubChem CID 1072976) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is N-cyclohexyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
PubChem CID1072976
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC NameN-cyclohexyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
SMILESCN1CCN(C(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H29N3O3S/c1-20-12-14-21(15-13-20)19(23)16-22(17-8-4-2-5-9-17)26(24,25)18-10-6-3-7-11-18/h3,6-7,10-11,17H,2,4-5,8-9,12-16H2,1H3
InChIKeyDECQKGGCAQHKEB-UHFFFAOYSA-N
XLogP1.78
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[N-(phenylsulfonyl)glycylglycyl]piperidine
CID 2233338
N-ethyl-4-fluoro-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 2985941
N-ethyl-N-[2-oxo-2-(piperidin-1-yl)ethyl]benzenesulfonamide
CID 2991053
1,4-Bis(phenylsulfonyl)tetrahydropyrazine-2,5-dione
CID 12037467
4-(4-Acetyl-piperazine-1-sulfonyl)-N-cyclohexyl-benzenesulfonamide
CID 1433329
N-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 2985919
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-methylacetamide
CID 799512
N-cyclohexyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 1072978
1-{2-[Cyclohexyl-(4-fluoro-benzenesulfonyl)-amino]-acetyl}-piperidine-4-carboxylic acid amide
CID 1072980
Ethyl 4-({cyclohexyl[(4-fluorophenyl)sulfonyl]amino}acetyl)piperazine-1-carboxylate
CID 1167476
1,4-Bis(benzenesulfonyl)piperazin-2-one
CID 1214431
N-[2-(azepan-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide
CID 2188534

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide?
The IUPAC name of N-cyclohexyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide (CID 1072976) is N-cyclohexyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for N-cyclohexyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide is CN1CCN(C(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of N-cyclohexyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide?
The InChIKey is DECQKGGCAQHKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-20-12-14-21(15-13-20)19(23)16-22(17-8-4-2-5-9-17)26(24,25)18-10-6-3-7-11-18/h3,6-7,10-11,17H,2,4-5,8-9,12-16H2,1H3.
What are the key properties of N-cyclohexyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide?
N-cyclohexyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide has a molecular weight of 379.53 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 1072976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).