N-[2-(ethylsulfonylamino)ethyl]-2-(1H-pyrazol-4-yl)benzamide

C14H18N4O3S — CID 126821326

IUPACN-[2-(ethylsulfonylamino)ethyl]-2-(1H-pyrazol-4-yl)benzamide
SMILESCCS(=O)(=O)NCCNC(=O)c1ccccc1-c1cn[nH]c1
InChIInChI=1S/C14H18N4O3S/c1-2-22(20,21)18-8-7-15-14(19)13-6-4-3-5-12(13)11-9-16-17-10-11/h3-6,9-10,18H,2,7-8H2,1H3,(H,15,19)(H,16,17)
InChIKeyAPJNUEIFYJOKDM-UHFFFAOYSA-N
MW322.39 g/mol
LogP0.75
Rot. Bonds7

About N-[2-(ethylsulfonylamino)ethyl]-2-(1H-pyrazol-4-yl)benzamide

N-[2-(ethylsulfonylamino)ethyl]-2-(1H-pyrazol-4-yl)benzamide (PubChem CID 126821326) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-[2-(ethylsulfonylamino)ethyl]-2-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[2-(ethylsulfonylamino)ethyl]-2-(1H-pyrazol-4-yl)benzamide
PubChem CID126821326
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC NameN-[2-(ethylsulfonylamino)ethyl]-2-(1H-pyrazol-4-yl)benzamide
SMILESCCS(=O)(=O)NCCNC(=O)c1ccccc1-c1cn[nH]c1
InChIInChI=1S/C14H18N4O3S/c1-2-22(20,21)18-8-7-15-14(19)13-6-4-3-5-12(13)11-9-16-17-10-11/h3-6,9-10,18H,2,7-8H2,1H3,(H,15,19)(H,16,17)
InChIKeyAPJNUEIFYJOKDM-UHFFFAOYSA-N
XLogP0.75
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(ethylsulfonylamino)ethyl]-2-sulfanylbenzamide
CID 108573441
2-amino-N-[2-(ethylsulfonylamino)ethyl]benzamide
CID 119944537
N-[2-(ethylsulfonylamino)ethyl]-2-(prop-2-enoylamino)benzamide
CID 166420577
N-[2-(butylsulfonylamino)ethyl]-2-hydroxybenzamide
CID 108571675
N-butyl-2-phenylbenzamide
CID 21064565
N-(3-methoxypropyl)-2-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 167970947
N-[2-[(2-phenylbenzoyl)amino]ethyl]-1H-pyrazole-5-carboxamide
CID 75500880
N-ethyl-4-(1H-pyrazol-4-yl)benzamide
CID 110464248
N-[2-(ethylamino)ethyl]-2-(ethylsulfonylamino)benzamide
CID 119508738
2-(ethylsulfonylamino)-N-(2-methoxyethyl)benzamide
CID 47141588
2-amino-N-(3-phenylpropyl)-4-(1H-pyrazol-4-yl)benzamide
CID 118662916
2-[2-[(4-chlorophenyl)-[4-(1H-pyrazol-4-yl)phenyl]methoxy]ethylcarbamoyl]benzoic acid
CID 59331989

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylsulfonylamino)ethyl]-2-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of N-[2-(ethylsulfonylamino)ethyl]-2-(1H-pyrazol-4-yl)benzamide (CID 126821326) is N-[2-(ethylsulfonylamino)ethyl]-2-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for N-[2-(ethylsulfonylamino)ethyl]-2-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for N-[2-(ethylsulfonylamino)ethyl]-2-(1H-pyrazol-4-yl)benzamide is CCS(=O)(=O)NCCNC(=O)c1ccccc1-c1cn[nH]c1.
What is the InChIKey of N-[2-(ethylsulfonylamino)ethyl]-2-(1H-pyrazol-4-yl)benzamide?
The InChIKey is APJNUEIFYJOKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-2-22(20,21)18-8-7-15-14(19)13-6-4-3-5-12(13)11-9-16-17-10-11/h3-6,9-10,18H,2,7-8H2,1H3,(H,15,19)(H,16,17).
What are the key properties of N-[2-(ethylsulfonylamino)ethyl]-2-(1H-pyrazol-4-yl)benzamide?
N-[2-(ethylsulfonylamino)ethyl]-2-(1H-pyrazol-4-yl)benzamide has a molecular weight of 322.39 g/mol, XLogP of 0.75, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylsulfonylamino)ethyl]-2-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 126821326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).