5-chloro-N-[4-[4-[3-(cyclopropylmethoxy)-2-pyridinyl]piperazin-1-yl]cyclohexyl]-2-methoxybenzenesulfonamide;ethane

C28H41ClN4O4S — CID 143302191

IUPAC5-chloro-N-[4-[4-[3-(cyclopropylmethoxy)-2-pyridinyl]piperazin-1-yl]cyclohexyl]-2-methoxybenzenesulfonamide;ethane
SMILESCC.COc1ccc(Cl)cc1S(=O)(=O)NC1CCC(N2CCN(c3ncccc3OCC3CC3)CC2)CC1
InChIInChI=1S/C26H35ClN4O4S.C2H6/c1-34-23-11-6-20(27)17-25(23)36(32,33)29-21-7-9-22(10-8-21)30-13-15-31(16-14-30)26-24(3-2-12-28-26)35-18-19-4-5-19;1-2/h2-3,6,11-12,17,19,21-22,29H,4-5,7-10,13-16,18H2,1H3;1-2H3
InChIKeyAGDIZSZJSOFLGL-UHFFFAOYSA-N
MW565.18 g/mol
LogP4.97
Rot. Bonds9

About 5-chloro-N-[4-[4-[3-(cyclopropylmethoxy)-2-pyridinyl]piperazin-1-yl]cyclohexyl]-2-methoxybenzenesulfonamide;ethane

5-chloro-N-[4-[4-[3-(cyclopropylmethoxy)-2-pyridinyl]piperazin-1-yl]cyclohexyl]-2-methoxybenzenesulfonamide;ethane (PubChem CID 143302191) has the molecular formula C28H41ClN4O4S and a molecular weight of 565.18 g/mol. Its IUPAC name is 5-chloro-N-[4-[4-[3-(cyclopropylmethoxy)-2-pyridinyl]piperazin-1-yl]cyclohexyl]-2-methoxybenzenesulfonamide;ethane.

Molecular Properties

Compound Name5-chloro-N-[4-[4-[3-(cyclopropylmethoxy)-2-pyridinyl]piperazin-1-yl]cyclohexyl]-2-methoxybenzenesulfonamide;ethane
PubChem CID143302191
Molecular FormulaC28H41ClN4O4S
Molecular Weight565.18 g/mol
Exact Mass564.25
IUPAC Name5-chloro-N-[4-[4-[3-(cyclopropylmethoxy)-2-pyridinyl]piperazin-1-yl]cyclohexyl]-2-methoxybenzenesulfonamide;ethane
SMILESCC.COc1ccc(Cl)cc1S(=O)(=O)NC1CCC(N2CCN(c3ncccc3OCC3CC3)CC2)CC1
InChIInChI=1S/C26H35ClN4O4S.C2H6/c1-34-23-11-6-20(27)17-25(23)36(32,33)29-21-7-9-22(10-8-21)30-13-15-31(16-14-30)26-24(3-2-12-28-26)35-18-19-4-5-19;1-2/h2-3,6,11-12,17,19,21-22,29H,4-5,7-10,13-16,18H2,1H3;1-2H3
InChIKeyAGDIZSZJSOFLGL-UHFFFAOYSA-N
XLogP4.97
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.18
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(5-chloro-2-fluorophenyl)sulfonyl-[[4-[4-[3-(cyclopropylmethoxy)-2-pyridinyl]piperazin-1-yl]cyclohexyl]methyl]azanide
CID 163570408
4-[4-[3-(cyclopropylmethoxy)-2-pyridinyl]-1,4-diazepan-1-yl]cyclohexan-1-amine
CID 143302173
N-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-3,4-dimethoxybenzenesulfonamide
CID 171682723
5-chloro-2-(cyclobutylmethoxy)-N-(oxepan-4-yl)benzenesulfonamide
CID 126772761
N-(1-cyclopropylpiperidin-4-yl)-2,5-dimethoxybenzenesulfonamide
CID 18141546
5-chloro-2-methoxy-N-(2-methyl-3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)benzenesulfonamide
CID 91910841
5-chloro-2-[4-[4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]cyclohexyl]piperazin-1-yl]pyrimidine
CID 66561979
N-(4-aminocyclohexyl)-5-chloro-2-(2-cyclopropylethoxy)benzenesulfonamide
CID 126779567
5-chloro-N-(cyclohexylmethyl)-2-methoxybenzenesulfonamide
CID 100566408
5-amino-N-(4-ethylcyclohexyl)-2-methoxybenzenesulfonamide
CID 61467171
N-[(4-chloro-2-pyridinyl)methyl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide
CID 75398194
5-chloro-N-[(3S)-8-ethoxy-3,4-dihydro-2H-chromen-3-yl]-2-methoxybenzenesulfonamide
CID 95117130

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[4-[3-(cyclopropylmethoxy)-2-pyridinyl]piperazin-1-yl]cyclohexyl]-2-methoxybenzenesulfonamide;ethane?
The IUPAC name of 5-chloro-N-[4-[4-[3-(cyclopropylmethoxy)-2-pyridinyl]piperazin-1-yl]cyclohexyl]-2-methoxybenzenesulfonamide;ethane (CID 143302191) is 5-chloro-N-[4-[4-[3-(cyclopropylmethoxy)-2-pyridinyl]piperazin-1-yl]cyclohexyl]-2-methoxybenzenesulfonamide;ethane.
What is the SMILES notation for 5-chloro-N-[4-[4-[3-(cyclopropylmethoxy)-2-pyridinyl]piperazin-1-yl]cyclohexyl]-2-methoxybenzenesulfonamide;ethane?
The canonical SMILES for 5-chloro-N-[4-[4-[3-(cyclopropylmethoxy)-2-pyridinyl]piperazin-1-yl]cyclohexyl]-2-methoxybenzenesulfonamide;ethane is CC.COc1ccc(Cl)cc1S(=O)(=O)NC1CCC(N2CCN(c3ncccc3OCC3CC3)CC2)CC1.
What is the InChIKey of 5-chloro-N-[4-[4-[3-(cyclopropylmethoxy)-2-pyridinyl]piperazin-1-yl]cyclohexyl]-2-methoxybenzenesulfonamide;ethane?
The InChIKey is AGDIZSZJSOFLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35ClN4O4S.C2H6/c1-34-23-11-6-20(27)17-25(23)36(32,33)29-21-7-9-22(10-8-21)30-13-15-31(16-14-30)26-24(3-2-12-28-26)35-18-19-4-5-19;1-2/h2-3,6,11-12,17,19,21-22,29H,4-5,7-10,13-16,18H2,1H3;1-2H3.
What are the key properties of 5-chloro-N-[4-[4-[3-(cyclopropylmethoxy)-2-pyridinyl]piperazin-1-yl]cyclohexyl]-2-methoxybenzenesulfonamide;ethane?
5-chloro-N-[4-[4-[3-(cyclopropylmethoxy)-2-pyridinyl]piperazin-1-yl]cyclohexyl]-2-methoxybenzenesulfonamide;ethane has a molecular weight of 565.18 g/mol, XLogP of 4.97, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-[4-[3-(cyclopropylmethoxy)-2-pyridinyl]piperazin-1-yl]cyclohexyl]-2-methoxybenzenesulfonamide;ethane is sourced from PubChem (CID 143302191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).