N-[4-[[1-(4-chlorobenzoyl)piperidin-4-yl]sulfamoyl]phenyl]acetamide

C20H22ClN3O4S — CID 108563915

IUPACN-[4-[[1-(4-chlorobenzoyl)piperidin-4-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C20H22ClN3O4S/c1-14(25)22-17-6-8-19(9-7-17)29(27,28)23-18-10-12-24(13-11-18)20(26)15-2-4-16(21)5-3-15/h2-9,18,23H,10-13H2,1H3,(H,22,25)
InChIKeyKLUNYUJBOKXZLE-UHFFFAOYSA-N
MW435.93 g/mol
LogP2.88
Rot. Bonds5

About N-[4-[[1-(4-chlorobenzoyl)piperidin-4-yl]sulfamoyl]phenyl]acetamide

N-[4-[[1-(4-chlorobenzoyl)piperidin-4-yl]sulfamoyl]phenyl]acetamide (PubChem CID 108563915) has the molecular formula C20H22ClN3O4S and a molecular weight of 435.93 g/mol. Its IUPAC name is N-[4-[[1-(4-chlorobenzoyl)piperidin-4-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[1-(4-chlorobenzoyl)piperidin-4-yl]sulfamoyl]phenyl]acetamide
PubChem CID108563915
Molecular FormulaC20H22ClN3O4S
Molecular Weight435.93 g/mol
Exact Mass435.10
IUPAC NameN-[4-[[1-(4-chlorobenzoyl)piperidin-4-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C20H22ClN3O4S/c1-14(25)22-17-6-8-19(9-7-17)29(27,28)23-18-10-12-24(13-11-18)20(26)15-2-4-16(21)5-3-15/h2-9,18,23H,10-13H2,1H3,(H,22,25)
InChIKeyKLUNYUJBOKXZLE-UHFFFAOYSA-N
XLogP2.88
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.93
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[1-(4-methoxybenzoyl)piperidin-4-yl]sulfamoyl]phenyl]acetamide
CID 108563478
N-[4-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]acetamide
CID 26202323
4-chloro-N-[1-(2-chloropyridine-4-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 127219140
N-[4-[[1-(pyrazine-2-carbonyl)piperidin-4-yl]sulfamoyl]phenyl]acetamide
CID 108566860
N-(4-acetamidophenyl)-4-(cyclopropylsulfamoyl)benzamide
CID 30683390
4-[4-(5-chloro-2-fluorobenzoyl)piperazine-1-carbonyl]-N-cyclopropylbenzenesulfonamide
CID 55724450
1-(4-chlorobenzoyl)-N-[4-(propylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 17119366
(4-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728657
4-[(4-chlorophenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)piperidine-1-carboxamide
CID 46380356
4-bromo-N-[1-(4-fluorobenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108563657
N-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide
CID 2994878
N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 38814852

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-(4-chlorobenzoyl)piperidin-4-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[1-(4-chlorobenzoyl)piperidin-4-yl]sulfamoyl]phenyl]acetamide (CID 108563915) is N-[4-[[1-(4-chlorobenzoyl)piperidin-4-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[1-(4-chlorobenzoyl)piperidin-4-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[1-(4-chlorobenzoyl)piperidin-4-yl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NC2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of N-[4-[[1-(4-chlorobenzoyl)piperidin-4-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is KLUNYUJBOKXZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O4S/c1-14(25)22-17-6-8-19(9-7-17)29(27,28)23-18-10-12-24(13-11-18)20(26)15-2-4-16(21)5-3-15/h2-9,18,23H,10-13H2,1H3,(H,22,25).
What are the key properties of N-[4-[[1-(4-chlorobenzoyl)piperidin-4-yl]sulfamoyl]phenyl]acetamide?
N-[4-[[1-(4-chlorobenzoyl)piperidin-4-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 435.93 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-(4-chlorobenzoyl)piperidin-4-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 108563915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).