N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(tetrazol-1-yl)acetamide

C11H13N5O4S — CID 681601

IUPACN-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(tetrazol-1-yl)acetamide
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)Cn2cnnn2)c1
InChIInChI=1S/C11H13N5O4S/c1-2-21(19,20)8-3-4-10(17)9(5-8)13-11(18)6-16-7-12-14-15-16/h3-5,7,17H,2,6H2,1H3,(H,13,18)
InChIKeyQMBQIRZRSPFKIR-UHFFFAOYSA-N
MW311.32 g/mol
LogP-0.19
Rot. Bonds5

About N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(tetrazol-1-yl)acetamide

N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(tetrazol-1-yl)acetamide (PubChem CID 681601) has the molecular formula C11H13N5O4S and a molecular weight of 311.32 g/mol. Its IUPAC name is N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(tetrazol-1-yl)acetamide
PubChem CID681601
Molecular FormulaC11H13N5O4S
Molecular Weight311.32 g/mol
Exact Mass311.07
IUPAC NameN-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(tetrazol-1-yl)acetamide
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)Cn2cnnn2)c1
InChIInChI=1S/C11H13N5O4S/c1-2-21(19,20)8-3-4-10(17)9(5-8)13-11(18)6-16-7-12-14-15-16/h3-5,7,17H,2,6H2,1H3,(H,13,18)
InChIKeyQMBQIRZRSPFKIR-UHFFFAOYSA-N
XLogP-0.19
TPSA127.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
CID 19522376
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(methylamino)acetamide
CID 120703363
2-(4-bromo-5-methylpyrazol-1-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)acetamide
CID 19517975
N-(5-ethylsulfonyl-2-hydroxyphenyl)pent-4-enamide
CID 51108082
methyl N-(5-ethylsulfonyl-2-hydroxyphenyl)carbamate
CID 71211128
N-(3-hydroxy-4-methylphenyl)-2-(tetrazol-1-yl)acetamide
CID 64795132
N-(2,5-dichlorophenyl)-2-(tetrazol-1-yl)acetamide
CID 26086117
N'-(3,5-dichloro-2-hydroxyphenyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)oxamide
CID 11750845
2-(3-bromo-2-methylindol-1-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)acetamide
CID 52661626
N-[4-(diethylamino)phenyl]-2-(tetrazol-1-yl)acetamide
CID 78776629
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-methylpyrazole-3-carboxamide
CID 19475773
N-(3-hydroxyphenyl)-2-(tetrazol-1-yl)acetamide
CID 28739859

Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(tetrazol-1-yl)acetamide (CID 681601) is N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(tetrazol-1-yl)acetamide is CCS(=O)(=O)c1ccc(O)c(NC(=O)Cn2cnnn2)c1.
What is the InChIKey of N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(tetrazol-1-yl)acetamide?
The InChIKey is QMBQIRZRSPFKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O4S/c1-2-21(19,20)8-3-4-10(17)9(5-8)13-11(18)6-16-7-12-14-15-16/h3-5,7,17H,2,6H2,1H3,(H,13,18).
What are the key properties of N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(tetrazol-1-yl)acetamide?
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(tetrazol-1-yl)acetamide has a molecular weight of 311.32 g/mol, XLogP of -0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 681601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).