5-chloro-N-[1-(2-hydroxyethyl)-6-oxo-3-pyridinyl]-4-methylthiophene-2-sulfonamide

C12H13ClN2O4S2 — CID 126828839

IUPAC5-chloro-N-[1-(2-hydroxyethyl)-6-oxo-3-pyridinyl]-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(=O)n(CCO)c2)sc1Cl
InChIInChI=1S/C12H13ClN2O4S2/c1-8-6-11(20-12(8)13)21(18,19)14-9-2-3-10(17)15(7-9)4-5-16/h2-3,6-7,14,16H,4-5H2,1H3
InChIKeyUISHFDNRYRDQAU-UHFFFAOYSA-N
MW348.83 g/mol
LogP1.66
Rot. Bonds5

About 5-chloro-N-[1-(2-hydroxyethyl)-6-oxo-3-pyridinyl]-4-methylthiophene-2-sulfonamide

5-chloro-N-[1-(2-hydroxyethyl)-6-oxo-3-pyridinyl]-4-methylthiophene-2-sulfonamide (PubChem CID 126828839) has the molecular formula C12H13ClN2O4S2 and a molecular weight of 348.83 g/mol. Its IUPAC name is 5-chloro-N-[1-(2-hydroxyethyl)-6-oxo-3-pyridinyl]-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[1-(2-hydroxyethyl)-6-oxo-3-pyridinyl]-4-methylthiophene-2-sulfonamide
PubChem CID126828839
Molecular FormulaC12H13ClN2O4S2
Molecular Weight348.83 g/mol
Exact Mass348.00
IUPAC Name5-chloro-N-[1-(2-hydroxyethyl)-6-oxo-3-pyridinyl]-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(=O)n(CCO)c2)sc1Cl
InChIInChI=1S/C12H13ClN2O4S2/c1-8-6-11(20-12(8)13)21(18,19)14-9-2-3-10(17)15(7-9)4-5-16/h2-3,6-7,14,16H,4-5H2,1H3
InChIKeyUISHFDNRYRDQAU-UHFFFAOYSA-N
XLogP1.66
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-aminophenyl)-5-chloro-4-methylthiophene-2-sulfonamide
CID 103099477
4-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-2-methylbenzoic acid
CID 103099684
2,3,5,6-tetramethyl-N-(6-oxo-1-propyl-3-pyridinyl)benzenesulfonamide
CID 51127332
N-(3-aminophenyl)-5-chloro-4-methylthiophene-2-sulfonamide
CID 103099480
5-chloro-N-[3-(ethylaminomethyl)phenyl]-4-methylthiophene-2-sulfonamide
CID 103100364
N-(3-amino-5-fluorophenyl)-5-chloro-4-methylthiophene-2-sulfonamide
CID 107334288
5-chloro-N-[3-(1-hydroxyethyl)phenyl]-4-methylthiophene-2-sulfonamide
CID 103100292
2-[2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 103099582
5-chloro-N-[2-(2-hydroxyethoxy)ethyl]-4-methylthiophene-2-sulfonamide
CID 103100201
2-chloro-N-(6-oxo-1-propyl-3-pyridinyl)pyrimidine-5-sulfonamide
CID 61041715
5-chloro-4-methyl-N-(1H-pyrazol-5-yl)thiophene-2-sulfonamide
CID 103100304
4-chloro-2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]benzoic acid
CID 103099599

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(2-hydroxyethyl)-6-oxo-3-pyridinyl]-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[1-(2-hydroxyethyl)-6-oxo-3-pyridinyl]-4-methylthiophene-2-sulfonamide (CID 126828839) is 5-chloro-N-[1-(2-hydroxyethyl)-6-oxo-3-pyridinyl]-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[1-(2-hydroxyethyl)-6-oxo-3-pyridinyl]-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[1-(2-hydroxyethyl)-6-oxo-3-pyridinyl]-4-methylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(=O)n(CCO)c2)sc1Cl.
What is the InChIKey of 5-chloro-N-[1-(2-hydroxyethyl)-6-oxo-3-pyridinyl]-4-methylthiophene-2-sulfonamide?
The InChIKey is UISHFDNRYRDQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O4S2/c1-8-6-11(20-12(8)13)21(18,19)14-9-2-3-10(17)15(7-9)4-5-16/h2-3,6-7,14,16H,4-5H2,1H3.
What are the key properties of 5-chloro-N-[1-(2-hydroxyethyl)-6-oxo-3-pyridinyl]-4-methylthiophene-2-sulfonamide?
5-chloro-N-[1-(2-hydroxyethyl)-6-oxo-3-pyridinyl]-4-methylthiophene-2-sulfonamide has a molecular weight of 348.83 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(2-hydroxyethyl)-6-oxo-3-pyridinyl]-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 126828839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).