2-(ethylsulfonylamino)-N-piperidin-4-ylbenzamide

C14H21N3O3S — CID 119389714

IUPAC2-(ethylsulfonylamino)-N-piperidin-4-ylbenzamide
SMILESCCS(=O)(=O)Nc1ccccc1C(=O)NC1CCNCC1
InChIInChI=1S/C14H21N3O3S/c1-2-21(19,20)17-13-6-4-3-5-12(13)14(18)16-11-7-9-15-10-8-11/h3-6,11,15,17H,2,7-10H2,1H3,(H,16,18)
InChIKeyJKDWXMULYXMFNV-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.93
Rot. Bonds5

About 2-(ethylsulfonylamino)-N-piperidin-4-ylbenzamide

2-(ethylsulfonylamino)-N-piperidin-4-ylbenzamide (PubChem CID 119389714) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-(ethylsulfonylamino)-N-piperidin-4-ylbenzamide.

Molecular Properties

Compound Name2-(ethylsulfonylamino)-N-piperidin-4-ylbenzamide
PubChem CID119389714
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name2-(ethylsulfonylamino)-N-piperidin-4-ylbenzamide
SMILESCCS(=O)(=O)Nc1ccccc1C(=O)NC1CCNCC1
InChIInChI=1S/C14H21N3O3S/c1-2-21(19,20)17-13-6-4-3-5-12(13)14(18)16-11-7-9-15-10-8-11/h3-6,11,15,17H,2,7-10H2,1H3,(H,16,18)
InChIKeyJKDWXMULYXMFNV-UHFFFAOYSA-N
XLogP0.93
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-piperidin-4-ylbenzamide
CID 119386020
N-[2-(aminomethyl)cyclopentyl]-2-(ethylsulfonylamino)benzamide
CID 119604509
2-benzamido-N-piperidin-4-ylbenzamide
CID 119388442
2-ethoxy-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389363
2-(aminomethyl)-N-piperidin-4-ylbenzamide
CID 139966518
2-methoxy-N-piperidin-4-ylbenzamide
CID 16780894
2-(ethylsulfonylamino)-N-(2-methoxyethyl)benzamide
CID 47141588
N-[2-(ethylamino)ethyl]-2-(ethylsulfonylamino)benzamide
CID 119508738
2-(4-methoxyanilino)-N-piperidin-4-ylbenzamide
CID 119386646
2-[(2-chlorophenyl)methylsulfonylamino]-N-cyclohexylbenzamide
CID 17321697
2-methylsulfonyl-N-pyrrolidin-3-ylbenzamide
CID 119450814
2-(benzenesulfonamido)-N-cycloheptylbenzamide
CID 126412627

Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfonylamino)-N-piperidin-4-ylbenzamide?
The IUPAC name of 2-(ethylsulfonylamino)-N-piperidin-4-ylbenzamide (CID 119389714) is 2-(ethylsulfonylamino)-N-piperidin-4-ylbenzamide.
What is the SMILES notation for 2-(ethylsulfonylamino)-N-piperidin-4-ylbenzamide?
The canonical SMILES for 2-(ethylsulfonylamino)-N-piperidin-4-ylbenzamide is CCS(=O)(=O)Nc1ccccc1C(=O)NC1CCNCC1.
What is the InChIKey of 2-(ethylsulfonylamino)-N-piperidin-4-ylbenzamide?
The InChIKey is JKDWXMULYXMFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-2-21(19,20)17-13-6-4-3-5-12(13)14(18)16-11-7-9-15-10-8-11/h3-6,11,15,17H,2,7-10H2,1H3,(H,16,18).
What are the key properties of 2-(ethylsulfonylamino)-N-piperidin-4-ylbenzamide?
2-(ethylsulfonylamino)-N-piperidin-4-ylbenzamide has a molecular weight of 311.41 g/mol, XLogP of 0.93, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfonylamino)-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 119389714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).