4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-N-(3-oxo-5-piperidin-4-ylpentyl)benzamide

C29H31Cl2N3O5S — CID 142791325

IUPAC4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-N-(3-oxo-5-piperidin-4-ylpentyl)benzamide
SMILESO=C(CCNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Oc2ccc(Cl)cc2Cl)cc1)CCC1CCNCC1
InChIInChI=1S/C29H31Cl2N3O5S/c30-22-8-12-27(25(31)19-22)39-28-4-2-1-3-26(28)34-40(37,38)24-10-6-21(7-11-24)29(36)33-18-15-23(35)9-5-20-13-16-32-17-14-20/h1-4,6-8,10-12,19-20,32,34H,5,9,13-18H2,(H,33,36)
InChIKeyVJZKUSKJPWKHMK-UHFFFAOYSA-N
MW604.56 g/mol
LogP6.06
Rot. Bonds12

About 4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-N-(3-oxo-5-piperidin-4-ylpentyl)benzamide

4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-N-(3-oxo-5-piperidin-4-ylpentyl)benzamide (PubChem CID 142791325) has the molecular formula C29H31Cl2N3O5S and a molecular weight of 604.56 g/mol. Its IUPAC name is 4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-N-(3-oxo-5-piperidin-4-ylpentyl)benzamide.

Molecular Properties

Compound Name4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-N-(3-oxo-5-piperidin-4-ylpentyl)benzamide
PubChem CID142791325
Molecular FormulaC29H31Cl2N3O5S
Molecular Weight604.56 g/mol
Exact Mass603.14
IUPAC Name4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-N-(3-oxo-5-piperidin-4-ylpentyl)benzamide
SMILESO=C(CCNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Oc2ccc(Cl)cc2Cl)cc1)CCC1CCNCC1
InChIInChI=1S/C29H31Cl2N3O5S/c30-22-8-12-27(25(31)19-22)39-28-4-2-1-3-26(28)34-40(37,38)24-10-6-21(7-11-24)29(36)33-18-15-23(35)9-5-20-13-16-32-17-14-20/h1-4,6-8,10-12,19-20,32,34H,5,9,13-18H2,(H,33,36)
InChIKeyVJZKUSKJPWKHMK-UHFFFAOYSA-N
XLogP6.06
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.56
LogP ≤ 56.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]benzoyl]-[2-oxo-2-(2-piperidin-4-ylethylamino)ethyl]amino]acetic acid
CID 71251632
4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 24987450
4-[[2-(4-bromo-2-chlorophenoxy)phenyl]sulfamoyl]-N-[[4-(piperidin-4-ylmethyl)phenyl]methyl]benzamide;hydrochloride
CID 24900040
N-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]benzamide;hydrochloride
CID 24987823
4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]benzamide
CID 24986737
4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-N-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]benzamide
CID 24900968
CID 87619783
CID 87619783
N-[2-[[4-[(diaminomethylideneamino)methyl]phenyl]methylamino]-2-oxoethyl]-4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]benzamide
CID 24900842
N-[2-(2,4-dichlorophenoxy)phenyl]-4-[4-(3-pyrrolidin-1-ylpropyl)piperazine-1-carbonyl]benzenesulfonamide
CID 68531485
4-[(2,4-dichlorophenoxy)-phenylsulfamoyl]-N-[2-oxo-2-(4-piperidin-4-ylbutylamino)ethyl]benzamide;hydrochloride
CID 87471136
N-[(2S)-6-amino-1-oxo-1-(piperidin-4-ylmethylamino)hexan-2-yl]-4-[(2-phenoxyphenyl)sulfamoyl]benzamide
CID 87472420
4-[[2-(3,4-dichlorophenoxy)phenyl]sulfamoyl]-N-(3-piperidin-1-ylpropyl)benzamide
CID 68529823

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-N-(3-oxo-5-piperidin-4-ylpentyl)benzamide?
The IUPAC name of 4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-N-(3-oxo-5-piperidin-4-ylpentyl)benzamide (CID 142791325) is 4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-N-(3-oxo-5-piperidin-4-ylpentyl)benzamide.
What is the SMILES notation for 4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-N-(3-oxo-5-piperidin-4-ylpentyl)benzamide?
The canonical SMILES for 4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-N-(3-oxo-5-piperidin-4-ylpentyl)benzamide is O=C(CCNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Oc2ccc(Cl)cc2Cl)cc1)CCC1CCNCC1.
What is the InChIKey of 4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-N-(3-oxo-5-piperidin-4-ylpentyl)benzamide?
The InChIKey is VJZKUSKJPWKHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31Cl2N3O5S/c30-22-8-12-27(25(31)19-22)39-28-4-2-1-3-26(28)34-40(37,38)24-10-6-21(7-11-24)29(36)33-18-15-23(35)9-5-20-13-16-32-17-14-20/h1-4,6-8,10-12,19-20,32,34H,5,9,13-18H2,(H,33,36).
What are the key properties of 4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-N-(3-oxo-5-piperidin-4-ylpentyl)benzamide?
4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-N-(3-oxo-5-piperidin-4-ylpentyl)benzamide has a molecular weight of 604.56 g/mol, XLogP of 6.06, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-N-(3-oxo-5-piperidin-4-ylpentyl)benzamide is sourced from PubChem (CID 142791325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).