N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-3-piperidin-1-ylpropanamide

C20H23Cl2N3O3S — CID 4571611

IUPACN-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-3-piperidin-1-ylpropanamide
SMILESO=C(CCN1CCCCC1)Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C20H23Cl2N3O3S/c21-15-12-16(22)14-18(13-15)24-29(27,28)19-6-4-17(5-7-19)23-20(26)8-11-25-9-2-1-3-10-25/h4-7,12-14,24H,1-3,8-11H2,(H,23,26)
InChIKeyHQNWQIJJLVMHAD-UHFFFAOYSA-N
MW456.40 g/mol
LogP4.61
Rot. Bonds7

About N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-3-piperidin-1-ylpropanamide

N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-3-piperidin-1-ylpropanamide (PubChem CID 4571611) has the molecular formula C20H23Cl2N3O3S and a molecular weight of 456.40 g/mol. Its IUPAC name is N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-3-piperidin-1-ylpropanamide.

Molecular Properties

Compound NameN-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-3-piperidin-1-ylpropanamide
PubChem CID4571611
Molecular FormulaC20H23Cl2N3O3S
Molecular Weight456.40 g/mol
Exact Mass455.08
IUPAC NameN-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-3-piperidin-1-ylpropanamide
SMILESO=C(CCN1CCCCC1)Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C20H23Cl2N3O3S/c21-15-12-16(22)14-18(13-15)24-29(27,28)19-6-4-17(5-7-19)23-20(26)8-11-25-9-2-1-3-10-25/h4-7,12-14,24H,1-3,8-11H2,(H,23,26)
InChIKeyHQNWQIJJLVMHAD-UHFFFAOYSA-N
XLogP4.61
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.40
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dichlorophenyl)-3-piperidin-1-ylpropanamide
CID 23906957
N-(4-chlorophenyl)-3-piperidin-1-ylpropanamide chloride
CID 45109691
N-(3-chlorophenyl)-3-piperidin-1-ylpropanamide chloride
CID 53313683
2-cyano-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]acetamide
CID 17069573
2-chloro-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 43882584
3-(azepan-1-yl)-N-(3,4-difluorophenyl)propanamide;hydrochloride
CID 90483211
N-(4-formylphenyl)-3-piperidin-1-ylpropanamide
CID 123230186
N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-3-(3,4-diethoxyphenyl)propanamide
CID 43885129
3-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
CID 28801310
N-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide
CID 771569
N-(4-acetylphenyl)-3-piperidin-1-ylpropanamide;hydrochloride
CID 155569851
4-(3-pyrrolidin-1-ylpropanoylamino)benzamide
CID 110688218

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-3-piperidin-1-ylpropanamide?
The IUPAC name of N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-3-piperidin-1-ylpropanamide (CID 4571611) is N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-3-piperidin-1-ylpropanamide.
What is the SMILES notation for N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-3-piperidin-1-ylpropanamide?
The canonical SMILES for N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-3-piperidin-1-ylpropanamide is O=C(CCN1CCCCC1)Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-3-piperidin-1-ylpropanamide?
The InChIKey is HQNWQIJJLVMHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3O3S/c21-15-12-16(22)14-18(13-15)24-29(27,28)19-6-4-17(5-7-19)23-20(26)8-11-25-9-2-1-3-10-25/h4-7,12-14,24H,1-3,8-11H2,(H,23,26).
What are the key properties of N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-3-piperidin-1-ylpropanamide?
N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-3-piperidin-1-ylpropanamide has a molecular weight of 456.40 g/mol, XLogP of 4.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 4571611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).