3-[[2-(ethylamino)-2-oxoethyl]-methylsulfamoyl]benzoic acid

C12H16N2O5S — CID 60951771

IUPAC3-[[2-(ethylamino)-2-oxoethyl]-methylsulfamoyl]benzoic acid
SMILESCCNC(=O)CN(C)S(=O)(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C12H16N2O5S/c1-3-13-11(15)8-14(2)20(18,19)10-6-4-5-9(7-10)12(16)17/h4-7H,3,8H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyCSIZGXPIIJYZQD-UHFFFAOYSA-N
MW300.34 g/mol
LogP0.14
Rot. Bonds6

About 3-[[2-(ethylamino)-2-oxoethyl]-methylsulfamoyl]benzoic acid

3-[[2-(ethylamino)-2-oxoethyl]-methylsulfamoyl]benzoic acid (PubChem CID 60951771) has the molecular formula C12H16N2O5S and a molecular weight of 300.34 g/mol. Its IUPAC name is 3-[[2-(ethylamino)-2-oxoethyl]-methylsulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-[[2-(ethylamino)-2-oxoethyl]-methylsulfamoyl]benzoic acid
PubChem CID60951771
Molecular FormulaC12H16N2O5S
Molecular Weight300.34 g/mol
Exact Mass300.08
IUPAC Name3-[[2-(ethylamino)-2-oxoethyl]-methylsulfamoyl]benzoic acid
SMILESCCNC(=O)CN(C)S(=O)(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C12H16N2O5S/c1-3-13-11(15)8-14(2)20(18,19)10-6-4-5-9(7-10)12(16)17/h4-7H,3,8H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyCSIZGXPIIJYZQD-UHFFFAOYSA-N
XLogP0.14
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-(ethylamino)-2-oxoethyl]-methylsulfamoyl]-2-methylbenzoic acid
CID 60952208
N-ethyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 27276320
2-chloro-4-[[2-(ethylamino)-2-oxoethyl]-methylsulfamoyl]benzoic acid
CID 107089967
2-[(3-carbamothioylphenyl)sulfonyl-methylamino]-N-propylacetamide
CID 61452668
3-(diethylsulfamoyl)benzoic acid;N-ethylethanamine
CID 161004191
3-[methyl(3,3,3-trifluoropropyl)sulfamoyl]benzoic acid
CID 61384560
3-[3-(dimethylamino)propyl-methylsulfamoyl]benzoic acid
CID 63694828
2-[(4-bromophenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 27276319
3-[5-hydroxypentyl(methyl)sulfamoyl]benzoic acid
CID 104651414
2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 47256526
2-[benzenesulfonyl(methyl)amino]-N-pentylacetamide
CID 40604128
3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]benzoic acid
CID 103101549

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(ethylamino)-2-oxoethyl]-methylsulfamoyl]benzoic acid?
The IUPAC name of 3-[[2-(ethylamino)-2-oxoethyl]-methylsulfamoyl]benzoic acid (CID 60951771) is 3-[[2-(ethylamino)-2-oxoethyl]-methylsulfamoyl]benzoic acid.
What is the SMILES notation for 3-[[2-(ethylamino)-2-oxoethyl]-methylsulfamoyl]benzoic acid?
The canonical SMILES for 3-[[2-(ethylamino)-2-oxoethyl]-methylsulfamoyl]benzoic acid is CCNC(=O)CN(C)S(=O)(=O)c1cccc(C(=O)O)c1.
What is the InChIKey of 3-[[2-(ethylamino)-2-oxoethyl]-methylsulfamoyl]benzoic acid?
The InChIKey is CSIZGXPIIJYZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5S/c1-3-13-11(15)8-14(2)20(18,19)10-6-4-5-9(7-10)12(16)17/h4-7H,3,8H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 3-[[2-(ethylamino)-2-oxoethyl]-methylsulfamoyl]benzoic acid?
3-[[2-(ethylamino)-2-oxoethyl]-methylsulfamoyl]benzoic acid has a molecular weight of 300.34 g/mol, XLogP of 0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(ethylamino)-2-oxoethyl]-methylsulfamoyl]benzoic acid is sourced from PubChem (CID 60951771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).