1-(4-chlorophenyl)sulfonyl-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)cyclopentane-1-carboxamide

C20H27ClN2O3S — CID 138992199

IUPAC1-(4-chlorophenyl)sulfonyl-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)cyclopentane-1-carboxamide
SMILESO=C(NCC12CCCN1CCC2)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C20H27ClN2O3S/c21-16-5-7-17(8-6-16)27(25,26)20(11-1-2-12-20)18(24)22-15-19-9-3-13-23(19)14-4-10-19/h5-8H,1-4,9-15H2,(H,22,24)
InChIKeyYPNIUVXEDJWCSC-UHFFFAOYSA-N
MW410.97 g/mol
LogP3.17
Rot. Bonds5

About 1-(4-chlorophenyl)sulfonyl-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)cyclopentane-1-carboxamide

1-(4-chlorophenyl)sulfonyl-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)cyclopentane-1-carboxamide (PubChem CID 138992199) has the molecular formula C20H27ClN2O3S and a molecular weight of 410.97 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)cyclopentane-1-carboxamide
PubChem CID138992199
Molecular FormulaC20H27ClN2O3S
Molecular Weight410.97 g/mol
Exact Mass410.14
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)cyclopentane-1-carboxamide
SMILESO=C(NCC12CCCN1CCC2)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C20H27ClN2O3S/c21-16-5-7-17(8-6-16)27(25,26)20(11-1-2-12-20)18(24)22-15-19-9-3-13-23(19)14-4-10-19/h5-8H,1-4,9-15H2,(H,22,24)
InChIKeyYPNIUVXEDJWCSC-UHFFFAOYSA-N
XLogP3.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.97
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-chlorophenyl)sulfonyl-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)cyclopentane-1-carboxamide with MolForge

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide
CID 78840798
1-(4-chlorophenyl)sulfonyl-N-[3-(methylamino)propyl]cyclopentane-1-carboxamide
CID 119430175
3-[[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]amino]-2-methylpropanoic acid
CID 119237490
N-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride
CID 119626480
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CID 55634206
1-(4-chlorophenyl)sulfonyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide
CID 37393006
1-(4-chlorophenyl)sulfonyl-N-(piperidin-3-ylmethyl)cyclopentane-1-carboxamide
CID 119460551
1-(4-chlorophenyl)sulfonyl-N-(4-ethylsulfonylphenyl)cyclopentane-1-carboxamide
CID 55496237
1-(4-chlorophenyl)sulfonyl-N-[4-(phenylcarbamoylamino)phenyl]cyclopentane-1-carboxamide
CID 31825356
methyl 1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxylate
CID 52542659
1-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 22429126
N-[(2-bromo-5-fluorophenyl)methyl]-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide
CID 55898827

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)cyclopentane-1-carboxamide (CID 138992199) is 1-(4-chlorophenyl)sulfonyl-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)cyclopentane-1-carboxamide is O=C(NCC12CCCN1CCC2)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)cyclopentane-1-carboxamide?
The InChIKey is YPNIUVXEDJWCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O3S/c21-16-5-7-17(8-6-16)27(25,26)20(11-1-2-12-20)18(24)22-15-19-9-3-13-23(19)14-4-10-19/h5-8H,1-4,9-15H2,(H,22,24).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)cyclopentane-1-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)cyclopentane-1-carboxamide has a molecular weight of 410.97 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 138992199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).