N-benzyl-N-(2-methoxyphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide

C26H28N2O4S — CID 4885428

IUPACN-benzyl-N-(2-methoxyphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
SMILESCOc1ccccc1N(Cc1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C26H28N2O4S/c1-32-25-16-7-6-15-24(25)28(20-21-11-4-2-5-12-21)33(30,31)23-14-10-13-22(19-23)26(29)27-17-8-3-9-18-27/h2,4-7,10-16,19H,3,8-9,17-18,20H2,1H3
InChIKeyWGKHCRJANYXURX-UHFFFAOYSA-N
MW464.59 g/mol
LogP4.72
Rot. Bonds7

About N-benzyl-N-(2-methoxyphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide

N-benzyl-N-(2-methoxyphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide (PubChem CID 4885428) has the molecular formula C26H28N2O4S and a molecular weight of 464.59 g/mol. Its IUPAC name is N-benzyl-N-(2-methoxyphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-(2-methoxyphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
PubChem CID4885428
Molecular FormulaC26H28N2O4S
Molecular Weight464.59 g/mol
Exact Mass464.18
IUPAC NameN-benzyl-N-(2-methoxyphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
SMILESCOc1ccccc1N(Cc1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C26H28N2O4S/c1-32-25-16-7-6-15-24(25)28(20-21-11-4-2-5-12-21)33(30,31)23-14-10-13-22(19-23)26(29)27-17-8-3-9-18-27/h2,4-7,10-16,19H,3,8-9,17-18,20H2,1H3
InChIKeyWGKHCRJANYXURX-UHFFFAOYSA-N
XLogP4.72
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[4-(5-Fluoro-1,1,3-trioxo-1,2-benzothiazol-2-yl)butyl]piperidin-4-yl]-1,3-benzoxazol-2-one
CID 19085829
3-[1-[4-(1,1,3-Trioxo-1,2-benzothiazol-2-yl)butyl]piperidin-4-yl]-1,3-benzoxazol-2-one
CID 19085866
6-Fluoro-3-[1-[4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butyl]piperidin-4-yl]-1,3-benzoxazol-2-one
CID 19085876
N-(2-methoxyphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2083341
3-[Benzyl(4-methoxyphenyl)sulfamoyl]benzoic acid
CID 2387099
3-(Benzyl(2-methoxyphenyl)sulfamoyl)benzoic acid
CID 2396426
N-(2-methoxy-5-{[(tetrahydro-2-furanylmethyl)amino]sulfonyl}phenyl)benzamide
CID 2987883
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-(4-methylsulfonylphenyl)benzamide
CID 10052433
2-[6-[4-(2-Methoxyphenyl)piperazin-1-yl]hexyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 155554326
3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(2-methoxyphenyl)propanamide
CID 1317129
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 2106114
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]benzamide
CID 2397168

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-methoxyphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-benzyl-N-(2-methoxyphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide (CID 4885428) is N-benzyl-N-(2-methoxyphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-N-(2-methoxyphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-benzyl-N-(2-methoxyphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide is COc1ccccc1N(Cc1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCCCC2)c1.
What is the InChIKey of N-benzyl-N-(2-methoxyphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is WGKHCRJANYXURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4S/c1-32-25-16-7-6-15-24(25)28(20-21-11-4-2-5-12-21)33(30,31)23-14-10-13-22(19-23)26(29)27-17-8-3-9-18-27/h2,4-7,10-16,19H,3,8-9,17-18,20H2,1H3.
What are the key properties of N-benzyl-N-(2-methoxyphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide?
N-benzyl-N-(2-methoxyphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 464.59 g/mol, XLogP of 4.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-methoxyphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 4885428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).