N-[5-[(4-chlorophenyl)sulfamoyl]-2-piperidin-1-ylphenyl]-3-phenoxybenzamide

C30H28ClN3O4S — CID 4257487

IUPACN-[5-[(4-chlorophenyl)sulfamoyl]-2-piperidin-1-ylphenyl]-3-phenoxybenzamide
SMILESO=C(Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1N1CCCCC1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C30H28ClN3O4S/c31-23-12-14-24(15-13-23)33-39(36,37)27-16-17-29(34-18-5-2-6-19-34)28(21-27)32-30(35)22-8-7-11-26(20-22)38-25-9-3-1-4-10-25/h1,3-4,7-17,20-21,33H,2,5-6,18-19H2,(H,32,35)
InChIKeyYZZQKWIXLQQOFD-UHFFFAOYSA-N
MW562.09 g/mol
LogP7.18
Rot. Bonds8

About N-[5-[(4-chlorophenyl)sulfamoyl]-2-piperidin-1-ylphenyl]-3-phenoxybenzamide

N-[5-[(4-chlorophenyl)sulfamoyl]-2-piperidin-1-ylphenyl]-3-phenoxybenzamide (PubChem CID 4257487) has the molecular formula C30H28ClN3O4S and a molecular weight of 562.09 g/mol. Its IUPAC name is N-[5-[(4-chlorophenyl)sulfamoyl]-2-piperidin-1-ylphenyl]-3-phenoxybenzamide.

Molecular Properties

Compound NameN-[5-[(4-chlorophenyl)sulfamoyl]-2-piperidin-1-ylphenyl]-3-phenoxybenzamide
PubChem CID4257487
Molecular FormulaC30H28ClN3O4S
Molecular Weight562.09 g/mol
Exact Mass561.15
IUPAC NameN-[5-[(4-chlorophenyl)sulfamoyl]-2-piperidin-1-ylphenyl]-3-phenoxybenzamide
SMILESO=C(Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1N1CCCCC1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C30H28ClN3O4S/c31-23-12-14-24(15-13-23)33-39(36,37)27-16-17-29(34-18-5-2-6-19-34)28(21-27)32-30(35)22-8-7-11-26(20-22)38-25-9-3-1-4-10-25/h1,3-4,7-17,20-21,33H,2,5-6,18-19H2,(H,32,35)
InChIKeyYZZQKWIXLQQOFD-UHFFFAOYSA-N
XLogP7.18
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.09
LogP ≤ 57.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[5-[(4-chlorophenyl)sulfamoyl]-2-pyrrolidin-1-ylanilino]-2-oxoacetate
CID 5113515
N-[4-(azepan-1-yl)phenyl]-3-phenoxybenzamide
CID 7582084
N-[5-[(4-methoxyphenyl)sulfamoyl]-2-pyrrolidin-1-ylphenyl]pyridine-4-carboxamide
CID 4857237
N-[5-[(4-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]thiophene-2-carboxamide
CID 4626135
N-[5-[(2,5-dichlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]naphthalene-2-carboxamide
CID 3996463
N-[4-morpholin-4-ylsulfonyl-2-[(3-phenoxybenzoyl)amino]phenyl]-3-phenoxybenzamide
CID 5064670
3-[(4-chlorophenyl)sulfamoyl]-N-(2,6-dichlorophenyl)benzamide
CID 2308611
3-chloro-N-[2-methoxy-5-(phenylsulfamoyl)phenyl]benzamide
CID 4646574
N-(4-chlorophenyl)-3-[4-(2-chlorophenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 26693557
3-[(4-chlorophenyl)sulfamoyl]-N-(2-methylsulfonylphenyl)benzamide
CID 70115356
3-phenoxy-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 8752814
N-[2-(azepan-1-yl)-5-chlorophenyl]-4-(dimethylsulfamoyl)benzamide
CID 2441869

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-chlorophenyl)sulfamoyl]-2-piperidin-1-ylphenyl]-3-phenoxybenzamide?
The IUPAC name of N-[5-[(4-chlorophenyl)sulfamoyl]-2-piperidin-1-ylphenyl]-3-phenoxybenzamide (CID 4257487) is N-[5-[(4-chlorophenyl)sulfamoyl]-2-piperidin-1-ylphenyl]-3-phenoxybenzamide.
What is the SMILES notation for N-[5-[(4-chlorophenyl)sulfamoyl]-2-piperidin-1-ylphenyl]-3-phenoxybenzamide?
The canonical SMILES for N-[5-[(4-chlorophenyl)sulfamoyl]-2-piperidin-1-ylphenyl]-3-phenoxybenzamide is O=C(Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1N1CCCCC1)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of N-[5-[(4-chlorophenyl)sulfamoyl]-2-piperidin-1-ylphenyl]-3-phenoxybenzamide?
The InChIKey is YZZQKWIXLQQOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28ClN3O4S/c31-23-12-14-24(15-13-23)33-39(36,37)27-16-17-29(34-18-5-2-6-19-34)28(21-27)32-30(35)22-8-7-11-26(20-22)38-25-9-3-1-4-10-25/h1,3-4,7-17,20-21,33H,2,5-6,18-19H2,(H,32,35).
What are the key properties of N-[5-[(4-chlorophenyl)sulfamoyl]-2-piperidin-1-ylphenyl]-3-phenoxybenzamide?
N-[5-[(4-chlorophenyl)sulfamoyl]-2-piperidin-1-ylphenyl]-3-phenoxybenzamide has a molecular weight of 562.09 g/mol, XLogP of 7.18, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-chlorophenyl)sulfamoyl]-2-piperidin-1-ylphenyl]-3-phenoxybenzamide is sourced from PubChem (CID 4257487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).