4-[(4-chlorophenyl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-1-carboxamide

C20H22ClN3O5S — CID 46380373

IUPAC4-[(4-chlorophenyl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)N1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H22ClN3O5S/c21-14-1-4-17(5-2-14)30(26,27)23-15-7-9-24(10-8-15)20(25)22-16-3-6-18-19(13-16)29-12-11-28-18/h1-6,13,15,23H,7-12H2,(H,22,25)
InChIKeyVREOIZYQUAJSKL-UHFFFAOYSA-N
MW451.93 g/mol
LogP3.09
Rot. Bonds4

About 4-[(4-chlorophenyl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-1-carboxamide

4-[(4-chlorophenyl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-1-carboxamide (PubChem CID 46380373) has the molecular formula C20H22ClN3O5S and a molecular weight of 451.93 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-1-carboxamide
PubChem CID46380373
Molecular FormulaC20H22ClN3O5S
Molecular Weight451.93 g/mol
Exact Mass451.10
IUPAC Name4-[(4-chlorophenyl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)N1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H22ClN3O5S/c21-14-1-4-17(5-2-14)30(26,27)23-15-7-9-24(10-8-15)20(25)22-16-3-6-18-19(13-16)29-12-11-28-18/h1-6,13,15,23H,7-12H2,(H,22,25)
InChIKeyVREOIZYQUAJSKL-UHFFFAOYSA-N
XLogP3.09
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.93
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-chlorophenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)piperidine-1-carboxamide
CID 46380356
4-[(4-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazine-1-carboxamide
CID 17087357
(2R)-1-(4-chlorophenyl)sulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide
CID 92887723
2-[4-(cyclopentylsulfamoyl)phenoxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 1087082
N-[4-[[1-(4-chlorobenzoyl)piperidin-4-yl]sulfamoyl]phenyl]acetamide
CID 108563915
4-[(4-fluorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)piperidine-1-carboxamide
CID 55647465
N-(1-cyclopropylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 17455064
4-[(4-methylphenyl)sulfonylamino]-N-phenylpiperidine-1-carboxamide
CID 46380328
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1334565
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine-1-carboxamide
CID 115578699
2-[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 26562263
2-[(4-chlorophenyl)sulfonylamino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide
CID 55350091

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-1-carboxamide?
The IUPAC name of 4-[(4-chlorophenyl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-1-carboxamide (CID 46380373) is 4-[(4-chlorophenyl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(4-chlorophenyl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(4-chlorophenyl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-1-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)N1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-[(4-chlorophenyl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-1-carboxamide?
The InChIKey is VREOIZYQUAJSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O5S/c21-14-1-4-17(5-2-14)30(26,27)23-15-7-9-24(10-8-15)20(25)22-16-3-6-18-19(13-16)29-12-11-28-18/h1-6,13,15,23H,7-12H2,(H,22,25).
What are the key properties of 4-[(4-chlorophenyl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-1-carboxamide?
4-[(4-chlorophenyl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-1-carboxamide has a molecular weight of 451.93 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-1-carboxamide is sourced from PubChem (CID 46380373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).