2-methyl-4-(thiophen-2-ylsulfonylamino)benzoic acid

C12H11NO4S2 — CID 56828335

IUPAC2-methyl-4-(thiophen-2-ylsulfonylamino)benzoic acid
SMILESCc1cc(NS(=O)(=O)c2cccs2)ccc1C(=O)O
InChIInChI=1S/C12H11NO4S2/c1-8-7-9(4-5-10(8)12(14)15)13-19(16,17)11-3-2-6-18-11/h2-7,13H,1H3,(H,14,15)
InChIKeyMFEBMPPOADCRRB-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.56
Rot. Bonds4

About 2-methyl-4-(thiophen-2-ylsulfonylamino)benzoic acid

2-methyl-4-(thiophen-2-ylsulfonylamino)benzoic acid (PubChem CID 56828335) has the molecular formula C12H11NO4S2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-methyl-4-(thiophen-2-ylsulfonylamino)benzoic acid.

Molecular Properties

Compound Name2-methyl-4-(thiophen-2-ylsulfonylamino)benzoic acid
PubChem CID56828335
Molecular FormulaC12H11NO4S2
Molecular Weight297.36 g/mol
Exact Mass297.01
IUPAC Name2-methyl-4-(thiophen-2-ylsulfonylamino)benzoic acid
SMILESCc1cc(NS(=O)(=O)c2cccs2)ccc1C(=O)O
InChIInChI=1S/C12H11NO4S2/c1-8-7-9(4-5-10(8)12(14)15)13-19(16,17)11-3-2-6-18-11/h2-7,13H,1H3,(H,14,15)
InChIKeyMFEBMPPOADCRRB-UHFFFAOYSA-N
XLogP2.56
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-carboxy-4-(thiophen-2-ylsulfonylamino)phenolate
CID 54711268
N-(3-hydroxy-4-methylphenyl)thiophene-2-sulfonamide
CID 3790087
4-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-2-methylbenzoic acid
CID 103099684
5-methyl-2-(thiophen-2-ylsulfonylamino)benzoic acid
CID 24693144
2-[bis(2-methylpropyl)amino]-5-(thiophen-2-ylsulfonylamino)benzoic acid
CID 46292162
N-[4-(3,4-dimethylanilino)phenyl]thiophene-2-sulfonamide
CID 112986376
2-[4-(4-acetylphenyl)piperazin-1-yl]-5-(thiophen-2-ylsulfonylamino)benzoic acid
CID 46291585
N-benzyl-2-hydroxy-N-methyl-4-(thiophen-2-ylsulfonylamino)benzamide
CID 78847492
2-hydroxy-N-pentan-3-yl-4-(thiophen-2-ylsulfonylamino)benzamide
CID 78867915
N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide
CID 112986152
N-[4-methyl-3-(trifluoromethyl)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 55490725
4-[2-[4-(thiophen-2-ylsulfonylamino)phenoxy]ethoxy]benzoic acid
CID 68690746

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(thiophen-2-ylsulfonylamino)benzoic acid?
The IUPAC name of 2-methyl-4-(thiophen-2-ylsulfonylamino)benzoic acid (CID 56828335) is 2-methyl-4-(thiophen-2-ylsulfonylamino)benzoic acid.
What is the SMILES notation for 2-methyl-4-(thiophen-2-ylsulfonylamino)benzoic acid?
The canonical SMILES for 2-methyl-4-(thiophen-2-ylsulfonylamino)benzoic acid is Cc1cc(NS(=O)(=O)c2cccs2)ccc1C(=O)O.
What is the InChIKey of 2-methyl-4-(thiophen-2-ylsulfonylamino)benzoic acid?
The InChIKey is MFEBMPPOADCRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4S2/c1-8-7-9(4-5-10(8)12(14)15)13-19(16,17)11-3-2-6-18-11/h2-7,13H,1H3,(H,14,15).
What are the key properties of 2-methyl-4-(thiophen-2-ylsulfonylamino)benzoic acid?
2-methyl-4-(thiophen-2-ylsulfonylamino)benzoic acid has a molecular weight of 297.36 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(thiophen-2-ylsulfonylamino)benzoic acid is sourced from PubChem (CID 56828335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).