4-(2-chloro-3-methylanilino)thiophene-3-carboxylic acid

C12H10ClNO2S — CID 3014942

IUPAC4-(2-chloro-3-methylanilino)thiophene-3-carboxylic acid
SMILESCc1cccc(Nc2cscc2C(=O)O)c1Cl
InChIInChI=1S/C12H10ClNO2S/c1-7-3-2-4-9(11(7)13)14-10-6-17-5-8(10)12(15)16/h2-6,14H,1H3,(H,15,16)
InChIKeyGMKYKFZCOYXIIS-UHFFFAOYSA-N
MW267.74 g/mol
LogP4.15
Rot. Bonds3

About 4-(2-chloro-3-methylanilino)thiophene-3-carboxylic acid

4-(2-chloro-3-methylanilino)thiophene-3-carboxylic acid (PubChem CID 3014942) has the molecular formula C12H10ClNO2S and a molecular weight of 267.74 g/mol. Its IUPAC name is 4-(2-chloro-3-methylanilino)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-chloro-3-methylanilino)thiophene-3-carboxylic acid
PubChem CID3014942
Molecular FormulaC12H10ClNO2S
Molecular Weight267.74 g/mol
Exact Mass267.01
IUPAC Name4-(2-chloro-3-methylanilino)thiophene-3-carboxylic acid
SMILESCc1cccc(Nc2cscc2C(=O)O)c1Cl
InChIInChI=1S/C12H10ClNO2S/c1-7-3-2-4-9(11(7)13)14-10-6-17-5-8(10)12(15)16/h2-6,14H,1H3,(H,15,16)
InChIKeyGMKYKFZCOYXIIS-UHFFFAOYSA-N
XLogP4.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dimethylanilino)thiophene-3-carboxylic acid
CID 151566015
4-[(2-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 82371184
3-acetyloxypropyl 2-[4-(2-chloro-3-methylanilino)thiophen-3-yl]acetate
CID 70573815
6-(2-chloro-3-methylanilino)pyrazine-2-carboxylic acid
CID 114250898
2-(2-carboxyanilino)-3-chloro-4-methylbenzoic acid
CID 21128606
4-chloro-2-(2,6-dimethylanilino)benzoic acid
CID 14550445
6-(2,6-dichloro-3-methylanilino)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylic acid
CID 164516784
4-(benzenesulfonamido)thiophene-3-carboxylic acid
CID 70120734
bis(2-(2,6-dichloro-3-methylanilino)benzoic acid);4-pyridin-4-ylpyridine
CID 139145966
4-(3-hydroxyphenyl)-2-(2-methylanilino)benzoic acid
CID 68962733
N-(2-chloro-3-methylphenyl)propanamide
CID 130161458
CID 10739949
CID 10739949

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-3-methylanilino)thiophene-3-carboxylic acid?
The IUPAC name of 4-(2-chloro-3-methylanilino)thiophene-3-carboxylic acid (CID 3014942) is 4-(2-chloro-3-methylanilino)thiophene-3-carboxylic acid.
What is the SMILES notation for 4-(2-chloro-3-methylanilino)thiophene-3-carboxylic acid?
The canonical SMILES for 4-(2-chloro-3-methylanilino)thiophene-3-carboxylic acid is Cc1cccc(Nc2cscc2C(=O)O)c1Cl.
What is the InChIKey of 4-(2-chloro-3-methylanilino)thiophene-3-carboxylic acid?
The InChIKey is GMKYKFZCOYXIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2S/c1-7-3-2-4-9(11(7)13)14-10-6-17-5-8(10)12(15)16/h2-6,14H,1H3,(H,15,16).
What are the key properties of 4-(2-chloro-3-methylanilino)thiophene-3-carboxylic acid?
4-(2-chloro-3-methylanilino)thiophene-3-carboxylic acid has a molecular weight of 267.74 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-3-methylanilino)thiophene-3-carboxylic acid is sourced from PubChem (CID 3014942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).