N-cyclohexyl-N-methyl-3-[4-(2-phenylethyl)piperazine-1-carbonyl]benzenesulfonamide

C26H35N3O3S — CID 43035629

IUPACN-cyclohexyl-N-methyl-3-[4-(2-phenylethyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)N2CCN(CCc3ccccc3)CC2)c1
InChIInChI=1S/C26H35N3O3S/c1-27(24-12-6-3-7-13-24)33(31,32)25-14-8-11-23(21-25)26(30)29-19-17-28(18-20-29)16-15-22-9-4-2-5-10-22/h2,4-5,8-11,14,21,24H,3,6-7,12-13,15-20H2,1H3
InChIKeyWHIFPKSJIMEETR-UHFFFAOYSA-N
MW469.65 g/mol
LogP3.64
Rot. Bonds7

About N-cyclohexyl-N-methyl-3-[4-(2-phenylethyl)piperazine-1-carbonyl]benzenesulfonamide

N-cyclohexyl-N-methyl-3-[4-(2-phenylethyl)piperazine-1-carbonyl]benzenesulfonamide (PubChem CID 43035629) has the molecular formula C26H35N3O3S and a molecular weight of 469.65 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-3-[4-(2-phenylethyl)piperazine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-3-[4-(2-phenylethyl)piperazine-1-carbonyl]benzenesulfonamide
PubChem CID43035629
Molecular FormulaC26H35N3O3S
Molecular Weight469.65 g/mol
Exact Mass469.24
IUPAC NameN-cyclohexyl-N-methyl-3-[4-(2-phenylethyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)N2CCN(CCc3ccccc3)CC2)c1
InChIInChI=1S/C26H35N3O3S/c1-27(24-12-6-3-7-13-24)33(31,32)25-14-8-11-23(21-25)26(30)29-19-17-28(18-20-29)16-15-22-9-4-2-5-10-22/h2,4-5,8-11,14,21,24H,3,6-7,12-13,15-20H2,1H3
InChIKeyWHIFPKSJIMEETR-UHFFFAOYSA-N
XLogP3.64
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.65
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-3-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide
CID 32769750
[3-(azepan-1-ylsulfonyl)phenyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 31951872
N-cyclohexyl-3-(1,4-diazepane-1-carbonyl)-N-methylbenzenesulfonamide
CID 119416583
3-[cyclopentyl(methyl)sulfamoyl]benzoic acid
CID 43213252
3-(azetidine-1-carbonyl)-N-methyl-N-(thian-4-yl)benzenesulfonamide
CID 77083695
N-benzyl-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063284
3-(4-benzylpiperazine-1-carbonyl)-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 27671245
3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
CID 2336771
N-cyclohexyl-3-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide
CID 46416448
3-[cyclopropyl(methyl)sulfamoyl]benzoic acid
CID 43247619
4-[3-(benzenesulfonylmethyl)benzoyl]-N-cyclohexylpiperazine-1-carboxamide
CID 55828071
3-[cyclohexyl(methyl)sulfamoyl]-N-ethoxybenzamide
CID 43048017

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-3-[4-(2-phenylethyl)piperazine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N-cyclohexyl-N-methyl-3-[4-(2-phenylethyl)piperazine-1-carbonyl]benzenesulfonamide (CID 43035629) is N-cyclohexyl-N-methyl-3-[4-(2-phenylethyl)piperazine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-3-[4-(2-phenylethyl)piperazine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N-cyclohexyl-N-methyl-3-[4-(2-phenylethyl)piperazine-1-carbonyl]benzenesulfonamide is CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)N2CCN(CCc3ccccc3)CC2)c1.
What is the InChIKey of N-cyclohexyl-N-methyl-3-[4-(2-phenylethyl)piperazine-1-carbonyl]benzenesulfonamide?
The InChIKey is WHIFPKSJIMEETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3S/c1-27(24-12-6-3-7-13-24)33(31,32)25-14-8-11-23(21-25)26(30)29-19-17-28(18-20-29)16-15-22-9-4-2-5-10-22/h2,4-5,8-11,14,21,24H,3,6-7,12-13,15-20H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-3-[4-(2-phenylethyl)piperazine-1-carbonyl]benzenesulfonamide?
N-cyclohexyl-N-methyl-3-[4-(2-phenylethyl)piperazine-1-carbonyl]benzenesulfonamide has a molecular weight of 469.65 g/mol, XLogP of 3.64, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-3-[4-(2-phenylethyl)piperazine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 43035629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).