N-(4-chloro-2-hydroxyphenyl)-5-ethylthiophene-2-sulfonamide

C12H12ClNO3S2 — CID 81433105

IUPACN-(4-chloro-2-hydroxyphenyl)-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2O)s1
InChIInChI=1S/C12H12ClNO3S2/c1-2-9-4-6-12(18-9)19(16,17)14-10-5-3-8(13)7-11(10)15/h3-7,14-15H,2H2,1H3
InChIKeyGDHDYUTXTMMJDB-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.47
Rot. Bonds4

About N-(4-chloro-2-hydroxyphenyl)-5-ethylthiophene-2-sulfonamide

N-(4-chloro-2-hydroxyphenyl)-5-ethylthiophene-2-sulfonamide (PubChem CID 81433105) has the molecular formula C12H12ClNO3S2 and a molecular weight of 317.82 g/mol. Its IUPAC name is N-(4-chloro-2-hydroxyphenyl)-5-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-hydroxyphenyl)-5-ethylthiophene-2-sulfonamide
PubChem CID81433105
Molecular FormulaC12H12ClNO3S2
Molecular Weight317.82 g/mol
Exact Mass316.99
IUPAC NameN-(4-chloro-2-hydroxyphenyl)-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2O)s1
InChIInChI=1S/C12H12ClNO3S2/c1-2-9-4-6-12(18-9)19(16,17)14-10-5-3-8(13)7-11(10)15/h3-7,14-15H,2H2,1H3
InChIKeyGDHDYUTXTMMJDB-UHFFFAOYSA-N
XLogP3.47
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-5-chlorophenyl)-5-ethylthiophene-2-sulfonamide
CID 61454311
5-chloro-N-(4-chloro-2-hydroxyphenyl)thiophene-2-sulfonamide
CID 81434366
N-(3,5-dichlorophenyl)-5-ethylthiophene-2-sulfonamide
CID 113098917
2,5-dichloro-N-(4-chloro-2-hydroxyphenyl)thiophene-3-sulfonamide
CID 81433543
N-(4-chloro-2-iodophenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106087386
N-(2-chloro-5-methyl-3-pyridinyl)-5-ethylthiophene-2-sulfonamide
CID 102976090
5-ethyl-N-[2-(3-hydroxyprop-1-ynyl)phenyl]thiophene-2-sulfonamide
CID 61454327
2-[5-[(2-bromo-4-chlorophenyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 81260465
N-(4-chloro-2-hydroxyphenyl)-1-methylsulfonylmethanesulfonamide
CID 82842049
N-(2-amino-5-fluorophenyl)-5-ethylthiophene-2-sulfonamide
CID 55169551
N-(5-amino-2,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide
CID 104757226
N-(4-chloro-2-hydroxyphenyl)butane-1-sulfonamide
CID 81434097

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-hydroxyphenyl)-5-ethylthiophene-2-sulfonamide?
The IUPAC name of N-(4-chloro-2-hydroxyphenyl)-5-ethylthiophene-2-sulfonamide (CID 81433105) is N-(4-chloro-2-hydroxyphenyl)-5-ethylthiophene-2-sulfonamide.
What is the SMILES notation for N-(4-chloro-2-hydroxyphenyl)-5-ethylthiophene-2-sulfonamide?
The canonical SMILES for N-(4-chloro-2-hydroxyphenyl)-5-ethylthiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2O)s1.
What is the InChIKey of N-(4-chloro-2-hydroxyphenyl)-5-ethylthiophene-2-sulfonamide?
The InChIKey is GDHDYUTXTMMJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO3S2/c1-2-9-4-6-12(18-9)19(16,17)14-10-5-3-8(13)7-11(10)15/h3-7,14-15H,2H2,1H3.
What are the key properties of N-(4-chloro-2-hydroxyphenyl)-5-ethylthiophene-2-sulfonamide?
N-(4-chloro-2-hydroxyphenyl)-5-ethylthiophene-2-sulfonamide has a molecular weight of 317.82 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-hydroxyphenyl)-5-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 81433105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).