N-(2-hydroxyethyl)-3-[(4-piperidin-1-ylsulfonylphenyl)sulfonylamino]benzamide

C20H25N3O6S2 — CID 51130554

IUPACN-(2-hydroxyethyl)-3-[(4-piperidin-1-ylsulfonylphenyl)sulfonylamino]benzamide
SMILESO=C(NCCO)c1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1
InChIInChI=1S/C20H25N3O6S2/c24-14-11-21-20(25)16-5-4-6-17(15-16)22-30(26,27)18-7-9-19(10-8-18)31(28,29)23-12-2-1-3-13-23/h4-10,15,22,24H,1-3,11-14H2,(H,21,25)
InChIKeyUFOXNKBJSJAOFH-UHFFFAOYSA-N
MW467.57 g/mol
LogP1.38
Rot. Bonds8

About N-(2-hydroxyethyl)-3-[(4-piperidin-1-ylsulfonylphenyl)sulfonylamino]benzamide

N-(2-hydroxyethyl)-3-[(4-piperidin-1-ylsulfonylphenyl)sulfonylamino]benzamide (PubChem CID 51130554) has the molecular formula C20H25N3O6S2 and a molecular weight of 467.57 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-[(4-piperidin-1-ylsulfonylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-[(4-piperidin-1-ylsulfonylphenyl)sulfonylamino]benzamide
PubChem CID51130554
Molecular FormulaC20H25N3O6S2
Molecular Weight467.57 g/mol
Exact Mass467.12
IUPAC NameN-(2-hydroxyethyl)-3-[(4-piperidin-1-ylsulfonylphenyl)sulfonylamino]benzamide
SMILESO=C(NCCO)c1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1
InChIInChI=1S/C20H25N3O6S2/c24-14-11-21-20(25)16-5-4-6-17(15-16)22-30(26,27)18-7-9-19(10-8-18)31(28,29)23-12-2-1-3-13-23/h4-10,15,22,24H,1-3,11-14H2,(H,21,25)
InChIKeyUFOXNKBJSJAOFH-UHFFFAOYSA-N
XLogP1.38
TPSA132.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(benzenesulfonamido)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 46474292
N-(2-aminoethyl)-3-(azepan-1-ylsulfonyl)benzamide;hydrochloride
CID 119382891
3-fluoro-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzamide
CID 30125800
N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]benzamide
CID 108736469
3-[(3-pyrrolidin-1-ylsulfonylphenyl)sulfamoyl]benzoate
CID 8015545
3-[(4-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 1332672
N-[2-(ethylamino)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 119508393
N-[3-(azepan-1-ylsulfonyl)phenyl]benzenesulfonamide
CID 2919639
N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]-3-cyanobenzamide
CID 108736551
N-[3-(diethylamino)propyl]-3-piperidin-1-ylsulfonylbenzamide
CID 2329054
3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)benzamide
CID 4157842
3-(benzenesulfonamido)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 46771385

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-[(4-piperidin-1-ylsulfonylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-(2-hydroxyethyl)-3-[(4-piperidin-1-ylsulfonylphenyl)sulfonylamino]benzamide (CID 51130554) is N-(2-hydroxyethyl)-3-[(4-piperidin-1-ylsulfonylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-[(4-piperidin-1-ylsulfonylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-[(4-piperidin-1-ylsulfonylphenyl)sulfonylamino]benzamide is O=C(NCCO)c1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1.
What is the InChIKey of N-(2-hydroxyethyl)-3-[(4-piperidin-1-ylsulfonylphenyl)sulfonylamino]benzamide?
The InChIKey is UFOXNKBJSJAOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O6S2/c24-14-11-21-20(25)16-5-4-6-17(15-16)22-30(26,27)18-7-9-19(10-8-18)31(28,29)23-12-2-1-3-13-23/h4-10,15,22,24H,1-3,11-14H2,(H,21,25).
What are the key properties of N-(2-hydroxyethyl)-3-[(4-piperidin-1-ylsulfonylphenyl)sulfonylamino]benzamide?
N-(2-hydroxyethyl)-3-[(4-piperidin-1-ylsulfonylphenyl)sulfonylamino]benzamide has a molecular weight of 467.57 g/mol, XLogP of 1.38, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-[(4-piperidin-1-ylsulfonylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 51130554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).