1-[2,4-dichloro-5-(propan-2-ylsulfamoyl)benzoyl]piperidine-4-carboxamide

C16H21Cl2N3O4S — CID 19257691

IUPAC1-[2,4-dichloro-5-(propan-2-ylsulfamoyl)benzoyl]piperidine-4-carboxamide
SMILESCC(C)NS(=O)(=O)c1cc(C(=O)N2CCC(C(N)=O)CC2)c(Cl)cc1Cl
InChIInChI=1S/C16H21Cl2N3O4S/c1-9(2)20-26(24,25)14-7-11(12(17)8-13(14)18)16(23)21-5-3-10(4-6-21)15(19)22/h7-10,20H,3-6H2,1-2H3,(H2,19,22)
InChIKeyVEYFVIYMFPVFJS-UHFFFAOYSA-N
MW422.33 g/mol
LogP2.02
Rot. Bonds5

About 1-[2,4-dichloro-5-(propan-2-ylsulfamoyl)benzoyl]piperidine-4-carboxamide

1-[2,4-dichloro-5-(propan-2-ylsulfamoyl)benzoyl]piperidine-4-carboxamide (PubChem CID 19257691) has the molecular formula C16H21Cl2N3O4S and a molecular weight of 422.33 g/mol. Its IUPAC name is 1-[2,4-dichloro-5-(propan-2-ylsulfamoyl)benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2,4-dichloro-5-(propan-2-ylsulfamoyl)benzoyl]piperidine-4-carboxamide
PubChem CID19257691
Molecular FormulaC16H21Cl2N3O4S
Molecular Weight422.33 g/mol
Exact Mass421.06
IUPAC Name1-[2,4-dichloro-5-(propan-2-ylsulfamoyl)benzoyl]piperidine-4-carboxamide
SMILESCC(C)NS(=O)(=O)c1cc(C(=O)N2CCC(C(N)=O)CC2)c(Cl)cc1Cl
InChIInChI=1S/C16H21Cl2N3O4S/c1-9(2)20-26(24,25)14-7-11(12(17)8-13(14)18)16(23)21-5-3-10(4-6-21)15(19)22/h7-10,20H,3-6H2,1-2H3,(H2,19,22)
InChIKeyVEYFVIYMFPVFJS-UHFFFAOYSA-N
XLogP2.02
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.33
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-5-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 60634969
1-[5-(benzenesulfonamido)-2-chlorobenzoyl]piperidine-4-carboxamide
CID 99952888
2,4-dichloro-N-cyclopropyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 22109871
1-[2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxamide
CID 126383545
1-(4-chloro-3-methylsulfonylbenzoyl)piperidine-4-carboxamide
CID 31307506
1-[4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzoyl]piperidine-4-carboxamide
CID 5236440
2,4-dichloro-N-cyclopropyl-5-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
CID 55358300
1-(2-chloro-4-methylbenzoyl)piperidine-4-carbothioamide
CID 106861309
1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 2473565
1-(4-acetamido-5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 17312286
1-(4-amino-5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide;hydrochloride
CID 119673960
2,4-dichloro-N-cyclopropyl-5-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 39911331

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-dichloro-5-(propan-2-ylsulfamoyl)benzoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2,4-dichloro-5-(propan-2-ylsulfamoyl)benzoyl]piperidine-4-carboxamide (CID 19257691) is 1-[2,4-dichloro-5-(propan-2-ylsulfamoyl)benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2,4-dichloro-5-(propan-2-ylsulfamoyl)benzoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2,4-dichloro-5-(propan-2-ylsulfamoyl)benzoyl]piperidine-4-carboxamide is CC(C)NS(=O)(=O)c1cc(C(=O)N2CCC(C(N)=O)CC2)c(Cl)cc1Cl.
What is the InChIKey of 1-[2,4-dichloro-5-(propan-2-ylsulfamoyl)benzoyl]piperidine-4-carboxamide?
The InChIKey is VEYFVIYMFPVFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2N3O4S/c1-9(2)20-26(24,25)14-7-11(12(17)8-13(14)18)16(23)21-5-3-10(4-6-21)15(19)22/h7-10,20H,3-6H2,1-2H3,(H2,19,22).
What are the key properties of 1-[2,4-dichloro-5-(propan-2-ylsulfamoyl)benzoyl]piperidine-4-carboxamide?
1-[2,4-dichloro-5-(propan-2-ylsulfamoyl)benzoyl]piperidine-4-carboxamide has a molecular weight of 422.33 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-dichloro-5-(propan-2-ylsulfamoyl)benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 19257691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).