N-cyclohexyl-3-(4-formylpiperazine-1-carbonyl)benzenesulfonamide

C18H25N3O4S — CID 109063352

IUPACN-cyclohexyl-3-(4-formylpiperazine-1-carbonyl)benzenesulfonamide
SMILESO=CN1CCN(C(=O)c2cccc(S(=O)(=O)NC3CCCCC3)c2)CC1
InChIInChI=1S/C18H25N3O4S/c22-14-20-9-11-21(12-10-20)18(23)15-5-4-8-17(13-15)26(24,25)19-16-6-2-1-3-7-16/h4-5,8,13-14,16,19H,1-3,6-7,9-12H2
InChIKeyYCLLIPWSLVYDMI-UHFFFAOYSA-N
MW379.48 g/mol
LogP1.21
Rot. Bonds5

About N-cyclohexyl-3-(4-formylpiperazine-1-carbonyl)benzenesulfonamide

N-cyclohexyl-3-(4-formylpiperazine-1-carbonyl)benzenesulfonamide (PubChem CID 109063352) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is N-cyclohexyl-3-(4-formylpiperazine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(4-formylpiperazine-1-carbonyl)benzenesulfonamide
PubChem CID109063352
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC NameN-cyclohexyl-3-(4-formylpiperazine-1-carbonyl)benzenesulfonamide
SMILESO=CN1CCN(C(=O)c2cccc(S(=O)(=O)NC3CCCCC3)c2)CC1
InChIInChI=1S/C18H25N3O4S/c22-14-20-9-11-21(12-10-20)18(23)15-5-4-8-17(13-15)26(24,25)19-16-6-2-1-3-7-16/h4-5,8,13-14,16,19H,1-3,6-7,9-12H2
InChIKeyYCLLIPWSLVYDMI-UHFFFAOYSA-N
XLogP1.21
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-3-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzenesulfonamide
CID 30855365
N-cyclohexyl-3-(4-ethylpiperazine-1-carbonyl)benzenesulfonamide
CID 109063351
3-(4-formylpiperazine-1-carbonyl)-N-phenylbenzenesulfonamide
CID 109064404
1-[3-(cyclopentylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119354621
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-cyclopentylbenzenesulfonamide;hydrochloride
CID 119409335
N-cyclopentyl-3-[4-(1,1-dioxothiolan-3-yl)piperazine-1-carbonyl]benzenesulfonamide
CID 55569691
3-(4-formylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 109063902
4-[3-(cyclopentylsulfamoyl)benzoyl]morpholine-2-carboxylic acid
CID 119239665
1-[3-(cyclopentylsulfamoyl)benzoyl]-N-phenylpiperidine-3-carboxamide
CID 46578445
N-(2-cyanophenyl)-3-(4-formylpiperazine-1-carbonyl)benzenesulfonamide
CID 109064413
3-[4-(aminomethyl)piperidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide
CID 119423037
3-(cyclohexylsulfamoyl)-N-cyclopentylbenzamide
CID 109063195

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(4-formylpiperazine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-cyclohexyl-3-(4-formylpiperazine-1-carbonyl)benzenesulfonamide (CID 109063352) is N-cyclohexyl-3-(4-formylpiperazine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-3-(4-formylpiperazine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-cyclohexyl-3-(4-formylpiperazine-1-carbonyl)benzenesulfonamide is O=CN1CCN(C(=O)c2cccc(S(=O)(=O)NC3CCCCC3)c2)CC1.
What is the InChIKey of N-cyclohexyl-3-(4-formylpiperazine-1-carbonyl)benzenesulfonamide?
The InChIKey is YCLLIPWSLVYDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S/c22-14-20-9-11-21(12-10-20)18(23)15-5-4-8-17(13-15)26(24,25)19-16-6-2-1-3-7-16/h4-5,8,13-14,16,19H,1-3,6-7,9-12H2.
What are the key properties of N-cyclohexyl-3-(4-formylpiperazine-1-carbonyl)benzenesulfonamide?
N-cyclohexyl-3-(4-formylpiperazine-1-carbonyl)benzenesulfonamide has a molecular weight of 379.48 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(4-formylpiperazine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 109063352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).