2-methyl-5-[methyl(thiophen-2-ylmethyl)sulfamoyl]benzoic acid

C14H15NO4S2 — CID 43238133

IUPAC2-methyl-5-[methyl(thiophen-2-ylmethyl)sulfamoyl]benzoic acid
SMILESCc1ccc(S(=O)(=O)N(C)Cc2cccs2)cc1C(=O)O
InChIInChI=1S/C14H15NO4S2/c1-10-5-6-12(8-13(10)14(16)17)21(18,19)15(2)9-11-4-3-7-20-11/h3-8H,9H2,1-2H3,(H,16,17)
InChIKeyDRIQKXWHKZSRKT-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.58
Rot. Bonds5

About 2-methyl-5-[methyl(thiophen-2-ylmethyl)sulfamoyl]benzoic acid

2-methyl-5-[methyl(thiophen-2-ylmethyl)sulfamoyl]benzoic acid (PubChem CID 43238133) has the molecular formula C14H15NO4S2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-methyl-5-[methyl(thiophen-2-ylmethyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-methyl-5-[methyl(thiophen-2-ylmethyl)sulfamoyl]benzoic acid
PubChem CID43238133
Molecular FormulaC14H15NO4S2
Molecular Weight325.41 g/mol
Exact Mass325.04
IUPAC Name2-methyl-5-[methyl(thiophen-2-ylmethyl)sulfamoyl]benzoic acid
SMILESCc1ccc(S(=O)(=O)N(C)Cc2cccs2)cc1C(=O)O
InChIInChI=1S/C14H15NO4S2/c1-10-5-6-12(8-13(10)14(16)17)21(18,19)15(2)9-11-4-3-7-20-11/h3-8H,9H2,1-2H3,(H,16,17)
InChIKeyDRIQKXWHKZSRKT-UHFFFAOYSA-N
XLogP2.58
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-(2-thiophen-2-ylethylsulfonyl)benzoic acid
CID 63774959
5-(dimethylsulfamoyl)-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzamide
CID 18170670
5-[ethyl(methyl)sulfamoyl]-2-methylbenzoic acid
CID 43263312
2-methyl-5-(thiophen-2-ylmethylsulfamoyl)benzoic acid
CID 2447471
5-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]-2-methylbenzoic acid
CID 43215455
N-[4-[methyl(thiophen-2-ylmethyl)sulfamoyl]phenyl]acetamide
CID 2578354
4-bromo-3-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 113242535
4-methyl-3-[methyl(2-thiophen-2-ylethyl)sulfamoyl]benzoic acid
CID 146121375
N-methyl-2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110733669
4-fluoro-3-[methyl(thiophen-2-ylmethyl)sulfamoyl]benzoic acid
CID 43238358
N-[[4-[methyl(thiophen-2-ylmethyl)sulfamoyl]phenyl]methyl]acetamide
CID 167806334
5-[[2-(ethylamino)-2-oxoethyl]-methylsulfamoyl]-2-methylbenzoic acid
CID 60952208

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[methyl(thiophen-2-ylmethyl)sulfamoyl]benzoic acid?
The IUPAC name of 2-methyl-5-[methyl(thiophen-2-ylmethyl)sulfamoyl]benzoic acid (CID 43238133) is 2-methyl-5-[methyl(thiophen-2-ylmethyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-methyl-5-[methyl(thiophen-2-ylmethyl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-methyl-5-[methyl(thiophen-2-ylmethyl)sulfamoyl]benzoic acid is Cc1ccc(S(=O)(=O)N(C)Cc2cccs2)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-[methyl(thiophen-2-ylmethyl)sulfamoyl]benzoic acid?
The InChIKey is DRIQKXWHKZSRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S2/c1-10-5-6-12(8-13(10)14(16)17)21(18,19)15(2)9-11-4-3-7-20-11/h3-8H,9H2,1-2H3,(H,16,17).
What are the key properties of 2-methyl-5-[methyl(thiophen-2-ylmethyl)sulfamoyl]benzoic acid?
2-methyl-5-[methyl(thiophen-2-ylmethyl)sulfamoyl]benzoic acid has a molecular weight of 325.41 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[methyl(thiophen-2-ylmethyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 43238133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).