N-cyclohexyl-3-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide

C27H35N3O4S — CID 32769750

IUPACN-cyclohexyl-3-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide
SMILESCCc1ccc(C(=O)N2CCN(C(=O)c3cccc(S(=O)(=O)N(C)C4CCCCC4)c3)CC2)cc1
InChIInChI=1S/C27H35N3O4S/c1-3-21-12-14-22(15-13-21)26(31)29-16-18-30(19-17-29)27(32)23-8-7-11-25(20-23)35(33,34)28(2)24-9-5-4-6-10-24/h7-8,11-15,20,24H,3-6,9-10,16-19H2,1-2H3
InChIKeyMXJYOPDWRCWEII-UHFFFAOYSA-N
MW497.66 g/mol
LogP3.80
Rot. Bonds6

About N-cyclohexyl-3-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide

N-cyclohexyl-3-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide (PubChem CID 32769750) has the molecular formula C27H35N3O4S and a molecular weight of 497.66 g/mol. Its IUPAC name is N-cyclohexyl-3-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide
PubChem CID32769750
Molecular FormulaC27H35N3O4S
Molecular Weight497.66 g/mol
Exact Mass497.23
IUPAC NameN-cyclohexyl-3-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide
SMILESCCc1ccc(C(=O)N2CCN(C(=O)c3cccc(S(=O)(=O)N(C)C4CCCCC4)c3)CC2)cc1
InChIInChI=1S/C27H35N3O4S/c1-3-21-12-14-22(15-13-21)26(31)29-16-18-30(19-17-29)27(32)23-8-7-11-25(20-23)35(33,34)28(2)24-9-5-4-6-10-24/h7-8,11-15,20,24H,3-6,9-10,16-19H2,1-2H3
InChIKeyMXJYOPDWRCWEII-UHFFFAOYSA-N
XLogP3.80
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.66
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-N-methyl-3-[4-(2-phenylethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 43035629
N-cyclohexyl-3-(1,4-diazepane-1-carbonyl)-N-methylbenzenesulfonamide
CID 119416583
3-(azetidine-1-carbonyl)-N-methyl-N-(thian-4-yl)benzenesulfonamide
CID 77083695
3-[cyclopentyl(methyl)sulfamoyl]benzoic acid
CID 43213252
N-cyclohexyl-3-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide
CID 46416448
N-cyclohexyl-4-(4-cyclopentylpiperazine-1-carbonyl)-N-methylbenzenesulfonamide
CID 55584050
3-[cyclohexyl(methyl)sulfamoyl]-N-ethoxybenzamide
CID 43048017
4-(4-aminopiperidine-1-carbonyl)-N-cyclohexyl-N-methylbenzenesulfonamide
CID 119375160
N-cyclohexyl-N-methyl-4-(piperazine-1-carbonyl)benzenesulfonamide
CID 119402234
N-cyclohexyl-N-methyl-4-[4-[(4-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]benzenesulfonamide
CID 43042174
3-[cyclopropyl(methyl)sulfamoyl]benzoic acid
CID 43247619
N-cyclohexyl-N-methyl-4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide
CID 55468843

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide?
The IUPAC name of N-cyclohexyl-3-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide (CID 32769750) is N-cyclohexyl-3-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-3-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide?
The canonical SMILES for N-cyclohexyl-3-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide is CCc1ccc(C(=O)N2CCN(C(=O)c3cccc(S(=O)(=O)N(C)C4CCCCC4)c3)CC2)cc1.
What is the InChIKey of N-cyclohexyl-3-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide?
The InChIKey is MXJYOPDWRCWEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O4S/c1-3-21-12-14-22(15-13-21)26(31)29-16-18-30(19-17-29)27(32)23-8-7-11-25(20-23)35(33,34)28(2)24-9-5-4-6-10-24/h7-8,11-15,20,24H,3-6,9-10,16-19H2,1-2H3.
What are the key properties of N-cyclohexyl-3-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide?
N-cyclohexyl-3-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide has a molecular weight of 497.66 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 32769750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).