N-benzyl-N-(2-chlorophenyl)-3-(4-oxopiperidine-1-carbonyl)benzenesulfonamide

C25H23ClN2O4S — CID 17438653

IUPACN-benzyl-N-(2-chlorophenyl)-3-(4-oxopiperidine-1-carbonyl)benzenesulfonamide
SMILESO=C1CCN(C(=O)c2cccc(S(=O)(=O)N(Cc3ccccc3)c3ccccc3Cl)c2)CC1
InChIInChI=1S/C25H23ClN2O4S/c26-23-11-4-5-12-24(23)28(18-19-7-2-1-3-8-19)33(31,32)22-10-6-9-20(17-22)25(30)27-15-13-21(29)14-16-27/h1-12,17H,13-16,18H2
InChIKeyCSQNIWSVOWBWJQ-UHFFFAOYSA-N
MW482.99 g/mol
LogP4.54
Rot. Bonds6

About N-benzyl-N-(2-chlorophenyl)-3-(4-oxopiperidine-1-carbonyl)benzenesulfonamide

N-benzyl-N-(2-chlorophenyl)-3-(4-oxopiperidine-1-carbonyl)benzenesulfonamide (PubChem CID 17438653) has the molecular formula C25H23ClN2O4S and a molecular weight of 482.99 g/mol. Its IUPAC name is N-benzyl-N-(2-chlorophenyl)-3-(4-oxopiperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-(2-chlorophenyl)-3-(4-oxopiperidine-1-carbonyl)benzenesulfonamide
PubChem CID17438653
Molecular FormulaC25H23ClN2O4S
Molecular Weight482.99 g/mol
Exact Mass482.11
IUPAC NameN-benzyl-N-(2-chlorophenyl)-3-(4-oxopiperidine-1-carbonyl)benzenesulfonamide
SMILESO=C1CCN(C(=O)c2cccc(S(=O)(=O)N(Cc3ccccc3)c3ccccc3Cl)c2)CC1
InChIInChI=1S/C25H23ClN2O4S/c26-23-11-4-5-12-24(23)28(18-19-7-2-1-3-8-19)33(31,32)22-10-6-9-20(17-22)25(30)27-15-13-21(29)14-16-27/h1-12,17H,13-16,18H2
InChIKeyCSQNIWSVOWBWJQ-UHFFFAOYSA-N
XLogP4.54
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.99
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(cyclopropylmethyl)benzamide
CID 30752481
N-benzyl-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063284
naphthalen-1-yl 3-[benzyl-(2-chlorophenyl)sulfamoyl]benzoate
CID 2397579
3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(1-hydroxybutan-2-yl)benzamide
CID 112771472
3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
CID 2538961
2-(diethylamino)ethyl 3-[benzyl-(2-chlorophenyl)sulfamoyl]benzoate
CID 2469428
3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide
CID 2704667
N-(2-chlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-prop-2-enylbenzenesulfonamide
CID 38376348
N-benzyl-4-chloro-N-(2-chlorophenyl)-3-(7-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)benzenesulfonamide
CID 166353479
N-(2-chlorophenyl)-3-(3-methylpyrrolidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
CID 86878865
1-(3-methylsulfonylbenzoyl)piperidin-4-one
CID 22397490
ethyl (3S)-1-[3-[benzyl-(2-methoxyphenyl)sulfamoyl]benzoyl]piperidine-3-carboxylate
CID 93472681

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-chlorophenyl)-3-(4-oxopiperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-benzyl-N-(2-chlorophenyl)-3-(4-oxopiperidine-1-carbonyl)benzenesulfonamide (CID 17438653) is N-benzyl-N-(2-chlorophenyl)-3-(4-oxopiperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-N-(2-chlorophenyl)-3-(4-oxopiperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-benzyl-N-(2-chlorophenyl)-3-(4-oxopiperidine-1-carbonyl)benzenesulfonamide is O=C1CCN(C(=O)c2cccc(S(=O)(=O)N(Cc3ccccc3)c3ccccc3Cl)c2)CC1.
What is the InChIKey of N-benzyl-N-(2-chlorophenyl)-3-(4-oxopiperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is CSQNIWSVOWBWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O4S/c26-23-11-4-5-12-24(23)28(18-19-7-2-1-3-8-19)33(31,32)22-10-6-9-20(17-22)25(30)27-15-13-21(29)14-16-27/h1-12,17H,13-16,18H2.
What are the key properties of N-benzyl-N-(2-chlorophenyl)-3-(4-oxopiperidine-1-carbonyl)benzenesulfonamide?
N-benzyl-N-(2-chlorophenyl)-3-(4-oxopiperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 482.99 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-chlorophenyl)-3-(4-oxopiperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 17438653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).