4-[(4-chlorophenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)piperidine-1-carboxamide

C20H24ClN3O5S — CID 46380356

IUPAC4-[(4-chlorophenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(NS(=O)(=O)c3ccc(Cl)cc3)CC2)cc1OC
InChIInChI=1S/C20H24ClN3O5S/c1-28-18-8-5-16(13-19(18)29-2)22-20(25)24-11-9-15(10-12-24)23-30(26,27)17-6-3-14(21)4-7-17/h3-8,13,15,23H,9-12H2,1-2H3,(H,22,25)
InChIKeyLMUCMVJAMGBRAQ-UHFFFAOYSA-N
MW453.95 g/mol
LogP3.33
Rot. Bonds6

About 4-[(4-chlorophenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)piperidine-1-carboxamide

4-[(4-chlorophenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)piperidine-1-carboxamide (PubChem CID 46380356) has the molecular formula C20H24ClN3O5S and a molecular weight of 453.95 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)piperidine-1-carboxamide
PubChem CID46380356
Molecular FormulaC20H24ClN3O5S
Molecular Weight453.95 g/mol
Exact Mass453.11
IUPAC Name4-[(4-chlorophenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(NS(=O)(=O)c3ccc(Cl)cc3)CC2)cc1OC
InChIInChI=1S/C20H24ClN3O5S/c1-28-18-8-5-16(13-19(18)29-2)22-20(25)24-11-9-15(10-12-24)23-30(26,27)17-6-3-14(21)4-7-17/h3-8,13,15,23H,9-12H2,1-2H3,(H,22,25)
InChIKeyLMUCMVJAMGBRAQ-UHFFFAOYSA-N
XLogP3.33
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.95
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-chlorophenyl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-1-carboxamide
CID 46380373
N-[4-[[1-(4-chlorobenzoyl)piperidin-4-yl]sulfamoyl]phenyl]acetamide
CID 108563915
2-[4-(cyclopentylsulfamoyl)phenoxy]-N-(3,4-dimethoxyphenyl)acetamide
CID 45375249
4-[(4-methylphenyl)sulfonylamino]-N-phenylpiperidine-1-carboxamide
CID 46380328
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-4-ethoxybenzenesulfonamide
CID 108563446
4-(5-chloro-2-methylphenyl)-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 17300058
4-chloro-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]benzenesulfonamide
CID 108564277
N-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]piperidin-4-yl]-4-methylbenzenesulfonamide
CID 50823518
4-[(4-fluorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)piperidine-1-carboxamide
CID 55647465
N-(4-chlorophenyl)-4-(methylamino)piperidine-1-carboxamide;hydrochloride
CID 165430478
4-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
CID 20629076
N-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1088320

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[(4-chlorophenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)piperidine-1-carboxamide (CID 46380356) is 4-[(4-chlorophenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(4-chlorophenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(4-chlorophenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)piperidine-1-carboxamide is COc1ccc(NC(=O)N2CCC(NS(=O)(=O)c3ccc(Cl)cc3)CC2)cc1OC.
What is the InChIKey of 4-[(4-chlorophenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)piperidine-1-carboxamide?
The InChIKey is LMUCMVJAMGBRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O5S/c1-28-18-8-5-16(13-19(18)29-2)22-20(25)24-11-9-15(10-12-24)23-30(26,27)17-6-3-14(21)4-7-17/h3-8,13,15,23H,9-12H2,1-2H3,(H,22,25).
What are the key properties of 4-[(4-chlorophenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)piperidine-1-carboxamide?
4-[(4-chlorophenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)piperidine-1-carboxamide has a molecular weight of 453.95 g/mol, XLogP of 3.33, 6 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-(3,4-dimethoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 46380356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).