4-[methyl(thiophen-2-ylsulfonyl)amino]benzoic acid

C12H11NO4S2 — CID 6491348

IUPAC4-[methyl(thiophen-2-ylsulfonyl)amino]benzoic acid
SMILESCN(c1ccc(C(=O)O)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C12H11NO4S2/c1-13(19(16,17)11-3-2-8-18-11)10-6-4-9(5-7-10)12(14)15/h2-8H,1H3,(H,14,15)
InChIKeyVBYUCPWUCHFUAW-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.27
Rot. Bonds4

About 4-[methyl(thiophen-2-ylsulfonyl)amino]benzoic acid

4-[methyl(thiophen-2-ylsulfonyl)amino]benzoic acid (PubChem CID 6491348) has the molecular formula C12H11NO4S2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-[methyl(thiophen-2-ylsulfonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[methyl(thiophen-2-ylsulfonyl)amino]benzoic acid
PubChem CID6491348
Molecular FormulaC12H11NO4S2
Molecular Weight297.36 g/mol
Exact Mass297.01
IUPAC Name4-[methyl(thiophen-2-ylsulfonyl)amino]benzoic acid
SMILESCN(c1ccc(C(=O)O)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C12H11NO4S2/c1-13(19(16,17)11-3-2-8-18-11)10-6-4-9(5-7-10)12(14)15/h2-8H,1H3,(H,14,15)
InChIKeyVBYUCPWUCHFUAW-UHFFFAOYSA-N
XLogP2.27
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(N,4-dimethylphenylsulfonamido)benzoic acid
CID 258011
4-(Thiophene-2-amido)benzoic acid
CID 746807
4-[(Thiophen-2-ylmethyl)-amino]-benzoic acid
CID 744861
4-(1,1-Dioxo-1,2-thiazolidin-2-yl)benzoic acid
CID 6625011
4-[[(3-Methyl-2-thienyl)carbonyl]amino]benzoic acid
CID 3236748
4-(2-Thiophen-2-yl-acetylamino)-benzoic acid
CID 649392
4-(Thiophene-2-sulfonamido)benzoic acid
CID 873172
4-{[2-(Thiophen-2-yl)ethyl]amino}benzoic acid
CID 13079685
4-(Thiophene-2-sulfonylamino)-benzoic acid propyl ester
CID 646875
(Z)-4-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)benzoic acid
CID 1206077
4-[[2-(Benzenesulfonyl)acetyl]amino]benzoic acid
CID 134065363
4-[Methyl(phenylsulfonyl)amino]benzoic acid
CID 804306

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(thiophen-2-ylsulfonyl)amino]benzoic acid?
The IUPAC name of 4-[methyl(thiophen-2-ylsulfonyl)amino]benzoic acid (CID 6491348) is 4-[methyl(thiophen-2-ylsulfonyl)amino]benzoic acid.
What is the SMILES notation for 4-[methyl(thiophen-2-ylsulfonyl)amino]benzoic acid?
The canonical SMILES for 4-[methyl(thiophen-2-ylsulfonyl)amino]benzoic acid is CN(c1ccc(C(=O)O)cc1)S(=O)(=O)c1cccs1.
What is the InChIKey of 4-[methyl(thiophen-2-ylsulfonyl)amino]benzoic acid?
The InChIKey is VBYUCPWUCHFUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4S2/c1-13(19(16,17)11-3-2-8-18-11)10-6-4-9(5-7-10)12(14)15/h2-8H,1H3,(H,14,15).
What are the key properties of 4-[methyl(thiophen-2-ylsulfonyl)amino]benzoic acid?
4-[methyl(thiophen-2-ylsulfonyl)amino]benzoic acid has a molecular weight of 297.36 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(thiophen-2-ylsulfonyl)amino]benzoic acid is sourced from PubChem (CID 6491348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).