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

C19H29N3O3S — CID 109063351

IUPACN-cyclohexyl-3-(4-ethylpiperazine-1-carbonyl)benzenesulfonamide
SMILESCCN1CCN(C(=O)c2cccc(S(=O)(=O)NC3CCCCC3)c2)CC1
InChIInChI=1S/C19H29N3O3S/c1-2-21-11-13-22(14-12-21)19(23)16-7-6-10-18(15-16)26(24,25)20-17-8-4-3-5-9-17/h6-7,10,15,17,20H,2-5,8-9,11-14H2,1H3
InChIKeyOVIXMUXQSKNIIB-UHFFFAOYSA-N
MW379.53 g/mol
LogP2.08
Rot. Bonds5

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

N-cyclohexyl-3-(4-ethylpiperazine-1-carbonyl)benzenesulfonamide (PubChem CID 109063351) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is N-cyclohexyl-3-(4-ethylpiperazine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(4-ethylpiperazine-1-carbonyl)benzenesulfonamide
PubChem CID109063351
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC NameN-cyclohexyl-3-(4-ethylpiperazine-1-carbonyl)benzenesulfonamide
SMILESCCN1CCN(C(=O)c2cccc(S(=O)(=O)NC3CCCCC3)c2)CC1
InChIInChI=1S/C19H29N3O3S/c1-2-21-11-13-22(14-12-21)19(23)16-7-6-10-18(15-16)26(24,25)20-17-8-4-3-5-9-17/h6-7,10,15,17,20H,2-5,8-9,11-14H2,1H3
InChIKeyOVIXMUXQSKNIIB-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-cyclohexyl-3-(4-formylpiperazine-1-carbonyl)benzenesulfonamide
CID 109063352
N-cyclopentyl-3-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzenesulfonamide
CID 30855365
1-[3-(cyclopentylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119354621
3-(4-ethylpiperazine-1-carbonyl)-N-(3-methylphenyl)benzenesulfonamide
CID 9336389
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-cyclopentylbenzenesulfonamide;hydrochloride
CID 119409335
3-[4-(aminomethyl)piperidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide
CID 119423037
N-cyclopentyl-3-[4-(1,1-dioxothiolan-3-yl)piperazine-1-carbonyl]benzenesulfonamide
CID 55569691
N-cyclopentyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119394896
N-[2-(dimethylamino)ethyl]-3-(4-ethylpiperazine-1-carbonyl)benzenesulfonamide
CID 109063964
4-[3-(cyclopentylsulfamoyl)benzoyl]morpholine-2-carboxylic acid
CID 119239665
3-(cyclopentylsulfamoyl)-N-ethylbenzamide
CID 30830540
N-cyclopropyl-3-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 119622166

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(4-ethylpiperazine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-cyclohexyl-3-(4-ethylpiperazine-1-carbonyl)benzenesulfonamide (CID 109063351) is N-cyclohexyl-3-(4-ethylpiperazine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-3-(4-ethylpiperazine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-cyclohexyl-3-(4-ethylpiperazine-1-carbonyl)benzenesulfonamide is CCN1CCN(C(=O)c2cccc(S(=O)(=O)NC3CCCCC3)c2)CC1.
What is the InChIKey of N-cyclohexyl-3-(4-ethylpiperazine-1-carbonyl)benzenesulfonamide?
The InChIKey is OVIXMUXQSKNIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-2-21-11-13-22(14-12-21)19(23)16-7-6-10-18(15-16)26(24,25)20-17-8-4-3-5-9-17/h6-7,10,15,17,20H,2-5,8-9,11-14H2,1H3.
What are the key properties of N-cyclohexyl-3-(4-ethylpiperazine-1-carbonyl)benzenesulfonamide?
N-cyclohexyl-3-(4-ethylpiperazine-1-carbonyl)benzenesulfonamide 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-3-(4-ethylpiperazine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 109063351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).