3-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenolate

C12H12NO3S2- — CID 3378223

IUPAC3-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenolate
SMILESCc1cc(S(=O)(=O)Nc2cccc([O-])c2)c(C)s1
InChIInChI=1S/C12H13NO3S2/c1-8-6-12(9(2)17-8)18(15,16)13-10-4-3-5-11(14)7-10/h3-7,13-14H,1-2H3/p-1
InChIKeyUITRGYSMQPNGIY-UHFFFAOYSA-M
MW282.37 g/mol
LogP2.24
Rot. Bonds3

About 3-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenolate

3-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenolate (PubChem CID 3378223) has the molecular formula C12H12NO3S2- and a molecular weight of 282.37 g/mol. Its IUPAC name is 3-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenolate.

Molecular Properties

Compound Name3-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenolate
PubChem CID3378223
Molecular FormulaC12H12NO3S2-
Molecular Weight282.37 g/mol
Exact Mass282.03
IUPAC Name3-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenolate
SMILESCc1cc(S(=O)(=O)Nc2cccc([O-])c2)c(C)s1
InChIInChI=1S/C12H13NO3S2/c1-8-6-12(9(2)17-8)18(15,16)13-10-4-3-5-11(14)7-10/h3-7,13-14H,1-2H3/p-1
InChIKeyUITRGYSMQPNGIY-UHFFFAOYSA-M
XLogP2.24
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-2,5-dimethylthiophene-3-sulfonamide
CID 39769709
1-[3-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]-3-phenylurea
CID 31075764
N-(2,1,3-benzothiadiazol-5-yl)-2,5-dimethylthiophene-3-sulfonamide
CID 42545354
2,5-dimethyl-N-pyrimidin-2-ylthiophene-3-sulfonamide
CID 75521882
5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-fluorobenzoic acid
CID 60728615
2,5-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)thiophene-3-sulfonamide
CID 47072250
N-[4-(2-hydroxyethyl)phenyl]-2,5-dimethylthiophene-3-sulfonamide
CID 61221447
N-(6-chloro-2-pyridinyl)-2,5-dimethylthiophene-3-sulfonamide
CID 104821321
2,5-dimethyl-N-(4-pyrazol-1-ylphenyl)thiophene-3-sulfonamide
CID 39837092
2-[4-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]acetic acid
CID 43238239
disodium;N-(3-oxidophenyl)sulfamate
CID 174228290
N-(2-bromo-3-pyridinyl)-2,5-dimethylthiophene-3-sulfonamide
CID 103816111

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenolate?
The IUPAC name of 3-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenolate (CID 3378223) is 3-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenolate.
What is the SMILES notation for 3-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenolate?
The canonical SMILES for 3-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenolate is Cc1cc(S(=O)(=O)Nc2cccc([O-])c2)c(C)s1.
What is the InChIKey of 3-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenolate?
The InChIKey is UITRGYSMQPNGIY-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H13NO3S2/c1-8-6-12(9(2)17-8)18(15,16)13-10-4-3-5-11(14)7-10/h3-7,13-14H,1-2H3/p-1.
What are the key properties of 3-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenolate?
3-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenolate has a molecular weight of 282.37 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenolate is sourced from PubChem (CID 3378223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).