5-methyl-4-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]thiophene-2-carboxylic acid

C9H11N5O4S2 — CID 63329135

IUPAC5-methyl-4-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]thiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1S(=O)(=O)NC(C)c1nn[nH]n1
InChIInChI=1S/C9H11N5O4S2/c1-4(8-10-13-14-11-8)12-20(17,18)7-3-6(9(15)16)19-5(7)2/h3-4,12H,1-2H3,(H,15,16)(H,10,11,13,14)
InChIKeyZXYAUBISTCCCID-UHFFFAOYSA-N
MW317.35 g/mol
LogP0.31
Rot. Bonds5

About 5-methyl-4-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]thiophene-2-carboxylic acid

5-methyl-4-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]thiophene-2-carboxylic acid (PubChem CID 63329135) has the molecular formula C9H11N5O4S2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 5-methyl-4-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]thiophene-2-carboxylic acid
PubChem CID63329135
Molecular FormulaC9H11N5O4S2
Molecular Weight317.35 g/mol
Exact Mass317.03
IUPAC Name5-methyl-4-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]thiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1S(=O)(=O)NC(C)c1nn[nH]n1
InChIInChI=1S/C9H11N5O4S2/c1-4(8-10-13-14-11-8)12-20(17,18)7-3-6(9(15)16)19-5(7)2/h3-4,12H,1-2H3,(H,15,16)(H,10,11,13,14)
InChIKeyZXYAUBISTCCCID-UHFFFAOYSA-N
XLogP0.31
TPSA137.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-fluoro-4-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]benzoic acid
CID 79177706
4-[[(2S)-1-methoxy-1-oxopropan-2-yl]sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63328909
5-methyl-4-(5-methylhexan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 63328950
5-methyl-4-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylic acid
CID 63329090
4-(1-cyclopropylethylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 55203054
4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63328902
5-methyl-4-(pent-1-yn-3-ylsulfamoyl)thiophene-2-carboxylic acid
CID 114160472
4-(1-cyclopropylbutan-2-ylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 63994247
5-methyl-4-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 63328643
4-[(2-amino-2-oxoethoxy)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 112672388
5-(aminomethyl)-2-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 106051346
3-(aminomethyl)-2,5-dichloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 106051329

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-methyl-4-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]thiophene-2-carboxylic acid (CID 63329135) is 5-methyl-4-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]thiophene-2-carboxylic acid is Cc1sc(C(=O)O)cc1S(=O)(=O)NC(C)c1nn[nH]n1.
What is the InChIKey of 5-methyl-4-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is ZXYAUBISTCCCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O4S2/c1-4(8-10-13-14-11-8)12-20(17,18)7-3-6(9(15)16)19-5(7)2/h3-4,12H,1-2H3,(H,15,16)(H,10,11,13,14).
What are the key properties of 5-methyl-4-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]thiophene-2-carboxylic acid?
5-methyl-4-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 317.35 g/mol, XLogP of 0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 63329135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).