N-[2-(dimethylamino)ethyl]-2-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxy-3-phenylbenzenesulfonamide

C26H33N3O4S — CID 57237419

IUPACN-[2-(dimethylamino)ethyl]-2-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxy-3-phenylbenzenesulfonamide
SMILESCC(Oc1c(-c2ccccc2)cccc1S(=O)(=O)NCCN(C)C)C(O)CCc1cccnc1
InChIInChI=1S/C26H33N3O4S/c1-20(24(30)15-14-21-9-8-16-27-19-21)33-26-23(22-10-5-4-6-11-22)12-7-13-25(26)34(31,32)28-17-18-29(2)3/h4-13,16,19-20,24,28,30H,14-15,17-18H2,1-3H3
InChIKeyGXCZUAJZQIVOOD-UHFFFAOYSA-N
MW483.63 g/mol
LogP3.35
Rot. Bonds12

About N-[2-(dimethylamino)ethyl]-2-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxy-3-phenylbenzenesulfonamide

N-[2-(dimethylamino)ethyl]-2-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxy-3-phenylbenzenesulfonamide (PubChem CID 57237419) has the molecular formula C26H33N3O4S and a molecular weight of 483.63 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxy-3-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxy-3-phenylbenzenesulfonamide
PubChem CID57237419
Molecular FormulaC26H33N3O4S
Molecular Weight483.63 g/mol
Exact Mass483.22
IUPAC NameN-[2-(dimethylamino)ethyl]-2-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxy-3-phenylbenzenesulfonamide
SMILESCC(Oc1c(-c2ccccc2)cccc1S(=O)(=O)NCCN(C)C)C(O)CCc1cccnc1
InChIInChI=1S/C26H33N3O4S/c1-20(24(30)15-14-21-9-8-16-27-19-21)33-26-23(22-10-5-4-6-11-22)12-7-13-25(26)34(31,32)28-17-18-29(2)3/h4-13,16,19-20,24,28,30H,14-15,17-18H2,1-3H3
InChIKeyGXCZUAJZQIVOOD-UHFFFAOYSA-N
XLogP3.35
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.63
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(4R)-4-(4-phenylphenoxy)-1-pyridin-3-ylpentan-3-ol
CID 59970467
2,5-difluoro-4-[4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]benzenesulfonamide
CID 20692758
(3R,4S)-4-[4-[3-[2-(methylamino)ethyl]phenyl]phenoxy]-1-pyridin-3-ylpentan-3-ol
CID 59970499
2-hydroxy-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 81241998
(3R,4S)-1-pyridin-3-yl-4-[4-[2-(trifluoromethoxy)phenyl]phenoxy]pentan-3-ol
CID 162542819
(3-hydroxy-5-pyridin-3-ylpentan-2-yl) carbamate;4-methyl-3-phenylbenzoic acid
CID 174405331
2,2,2-trifluoro-N-[3-[4-[(2S)-3-hydroxy-5-pyridin-3-ylpentan-2-yl]oxyphenyl]phenyl]-N-methylacetamide
CID 59970472
(3-hydroxy-5-pyridin-3-ylpentan-2-yl) carbamate
CID 174405332
4-[4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]-3-methylbenzoic acid
CID 18367521
5-methyl-4-(4-phenylphenoxy)-1-pyridin-3-ylhexan-3-ol
CID 18367564
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 86922552
4-(6-bromonaphthalen-2-yl)oxy-1-pyridin-3-ylpentan-3-ol
CID 18367612

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxy-3-phenylbenzenesulfonamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxy-3-phenylbenzenesulfonamide (CID 57237419) is N-[2-(dimethylamino)ethyl]-2-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxy-3-phenylbenzenesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxy-3-phenylbenzenesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxy-3-phenylbenzenesulfonamide is CC(Oc1c(-c2ccccc2)cccc1S(=O)(=O)NCCN(C)C)C(O)CCc1cccnc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxy-3-phenylbenzenesulfonamide?
The InChIKey is GXCZUAJZQIVOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4S/c1-20(24(30)15-14-21-9-8-16-27-19-21)33-26-23(22-10-5-4-6-11-22)12-7-13-25(26)34(31,32)28-17-18-29(2)3/h4-13,16,19-20,24,28,30H,14-15,17-18H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-2-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxy-3-phenylbenzenesulfonamide?
N-[2-(dimethylamino)ethyl]-2-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxy-3-phenylbenzenesulfonamide has a molecular weight of 483.63 g/mol, XLogP of 3.35, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxy-3-phenylbenzenesulfonamide is sourced from PubChem (CID 57237419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).