N-ethyl-2-hydroxysulfonothioylbenzamide

C9H11NO3S2 — CID 70587098

IUPACN-ethyl-2-hydroxysulfonothioylbenzamide
SMILESCCNC(=O)c1ccccc1S(=O)(O)=S
InChIInChI=1S/C9H11NO3S2/c1-2-10-9(11)7-5-3-4-6-8(7)15(12,13)14/h3-6H,2H2,1H3,(H,10,11)(H,12,13,14)
InChIKeyUVVKAEAJBTWJGH-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.01
Rot. Bonds3

About N-ethyl-2-hydroxysulfonothioylbenzamide

N-ethyl-2-hydroxysulfonothioylbenzamide (PubChem CID 70587098) has the molecular formula C9H11NO3S2 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-ethyl-2-hydroxysulfonothioylbenzamide.

Molecular Properties

Compound NameN-ethyl-2-hydroxysulfonothioylbenzamide
PubChem CID70587098
Molecular FormulaC9H11NO3S2
Molecular Weight245.32 g/mol
Exact Mass245.02
IUPAC NameN-ethyl-2-hydroxysulfonothioylbenzamide
SMILESCCNC(=O)c1ccccc1S(=O)(O)=S
InChIInChI=1S/C9H11NO3S2/c1-2-10-9(11)7-5-3-4-6-8(7)15(12,13)14/h3-6H,2H2,1H3,(H,10,11)(H,12,13,14)
InChIKeyUVVKAEAJBTWJGH-UHFFFAOYSA-N
XLogP1.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(ethylcarbamoyl)benzoic acid;propan-2-one
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N-(2-amino-2-methylpropyl)-2-ethylsulfonylbenzamide
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2-[(2-propylsulfonylbenzoyl)amino]acetic acid
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N-[(2R)-2-(ethylamino)propyl]-2-propan-2-ylsulfonylbenzamide
CID 120653669
N-(3-methylbutyl)-2-sulfamoylbenzamide
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CID 23386760
N-(cyanomethyl)-2-propylsulfonylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-hydroxysulfonothioylbenzamide?
The IUPAC name of N-ethyl-2-hydroxysulfonothioylbenzamide (CID 70587098) is N-ethyl-2-hydroxysulfonothioylbenzamide.
What is the SMILES notation for N-ethyl-2-hydroxysulfonothioylbenzamide?
The canonical SMILES for N-ethyl-2-hydroxysulfonothioylbenzamide is CCNC(=O)c1ccccc1S(=O)(O)=S.
What is the InChIKey of N-ethyl-2-hydroxysulfonothioylbenzamide?
The InChIKey is UVVKAEAJBTWJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S2/c1-2-10-9(11)7-5-3-4-6-8(7)15(12,13)14/h3-6H,2H2,1H3,(H,10,11)(H,12,13,14).
What are the key properties of N-ethyl-2-hydroxysulfonothioylbenzamide?
N-ethyl-2-hydroxysulfonothioylbenzamide has a molecular weight of 245.32 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-hydroxysulfonothioylbenzamide is sourced from PubChem (CID 70587098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).