4-chloro-3-piperidin-1-ylsulfonyl-N-(1-propylpiperidin-4-yl)benzamide

C20H30ClN3O3S — CID 9264502

IUPAC4-chloro-3-piperidin-1-ylsulfonyl-N-(1-propylpiperidin-4-yl)benzamide
SMILESCCCN1CCC(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)CC1
InChIInChI=1S/C20H30ClN3O3S/c1-2-10-23-13-8-17(9-14-23)22-20(25)16-6-7-18(21)19(15-16)28(26,27)24-11-4-3-5-12-24/h6-7,15,17H,2-5,8-14H2,1H3,(H,22,25)
InChIKeyYSKZOCPSQJOOEQ-UHFFFAOYSA-N
MW428.00 g/mol
LogP3.12
Rot. Bonds6

About 4-chloro-3-piperidin-1-ylsulfonyl-N-(1-propylpiperidin-4-yl)benzamide

4-chloro-3-piperidin-1-ylsulfonyl-N-(1-propylpiperidin-4-yl)benzamide (PubChem CID 9264502) has the molecular formula C20H30ClN3O3S and a molecular weight of 428.00 g/mol. Its IUPAC name is 4-chloro-3-piperidin-1-ylsulfonyl-N-(1-propylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-chloro-3-piperidin-1-ylsulfonyl-N-(1-propylpiperidin-4-yl)benzamide
PubChem CID9264502
Molecular FormulaC20H30ClN3O3S
Molecular Weight428.00 g/mol
Exact Mass427.17
IUPAC Name4-chloro-3-piperidin-1-ylsulfonyl-N-(1-propylpiperidin-4-yl)benzamide
SMILESCCCN1CCC(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)CC1
InChIInChI=1S/C20H30ClN3O3S/c1-2-10-23-13-8-17(9-14-23)22-20(25)16-6-7-18(21)19(15-16)28(26,27)24-11-4-3-5-12-24/h6-7,15,17H,2-5,8-14H2,1H3,(H,22,25)
InChIKeyYSKZOCPSQJOOEQ-UHFFFAOYSA-N
XLogP3.12
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.00
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-(1-propylpiperidin-4-yl)benzamide
CID 55463254
3-(azepan-1-ylsulfonyl)-4-chloro-N-cyclohexylbenzamide
CID 1216844
4-chloro-N-cyclohexyl-3-piperidin-1-ylsulfonylbenzamide
CID 1068470
4-chloro-N-(2-piperidin-1-ylethyl)-3-piperidin-1-ylsulfonylbenzamide
CID 55723998
N-cyclohexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 1068516
3-(azepan-1-ylsulfonyl)-N-cycloheptyl-4-methylbenzamide
CID 9003730
4-chloro-N-[3-(4-ethylpiperazin-1-yl)propyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55660146
3-(azepan-1-ylsulfonyl)-N-[(1R,3R)-3-carbamoylcyclohexyl]-4-chlorobenzamide
CID 97076654
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-chloro-3-piperidin-1-ylsulfonylbenzamide
CID 21174681
4-(4-acetylpiperazin-1-yl)sulfonyl-N-(1-propylpiperidin-4-yl)benzamide
CID 55407115
4-chloro-N-cyclohexyl-3-methylsulfonylbenzamide
CID 17456227
4-chloro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 8733033

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-piperidin-1-ylsulfonyl-N-(1-propylpiperidin-4-yl)benzamide?
The IUPAC name of 4-chloro-3-piperidin-1-ylsulfonyl-N-(1-propylpiperidin-4-yl)benzamide (CID 9264502) is 4-chloro-3-piperidin-1-ylsulfonyl-N-(1-propylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-chloro-3-piperidin-1-ylsulfonyl-N-(1-propylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-chloro-3-piperidin-1-ylsulfonyl-N-(1-propylpiperidin-4-yl)benzamide is CCCN1CCC(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)CC1.
What is the InChIKey of 4-chloro-3-piperidin-1-ylsulfonyl-N-(1-propylpiperidin-4-yl)benzamide?
The InChIKey is YSKZOCPSQJOOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClN3O3S/c1-2-10-23-13-8-17(9-14-23)22-20(25)16-6-7-18(21)19(15-16)28(26,27)24-11-4-3-5-12-24/h6-7,15,17H,2-5,8-14H2,1H3,(H,22,25).
What are the key properties of 4-chloro-3-piperidin-1-ylsulfonyl-N-(1-propylpiperidin-4-yl)benzamide?
4-chloro-3-piperidin-1-ylsulfonyl-N-(1-propylpiperidin-4-yl)benzamide has a molecular weight of 428.00 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-piperidin-1-ylsulfonyl-N-(1-propylpiperidin-4-yl)benzamide is sourced from PubChem (CID 9264502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).