5-chloro-N-[2-(oxan-4-yl)-2-oxoethyl]thiophene-2-sulfonamide

C11H14ClNO4S2 — CID 137417792

IUPAC5-chloro-N-[2-(oxan-4-yl)-2-oxoethyl]thiophene-2-sulfonamide
SMILESO=C(CNS(=O)(=O)c1ccc(Cl)s1)C1CCOCC1
InChIInChI=1S/C11H14ClNO4S2/c12-10-1-2-11(18-10)19(15,16)13-7-9(14)8-3-5-17-6-4-8/h1-2,8,13H,3-7H2
InChIKeyGLSTVIYROJMSPF-UHFFFAOYSA-N
MW323.82 g/mol
LogP1.68
Rot. Bonds5

About 5-chloro-N-[2-(oxan-4-yl)-2-oxoethyl]thiophene-2-sulfonamide

5-chloro-N-[2-(oxan-4-yl)-2-oxoethyl]thiophene-2-sulfonamide (PubChem CID 137417792) has the molecular formula C11H14ClNO4S2 and a molecular weight of 323.82 g/mol. Its IUPAC name is 5-chloro-N-[2-(oxan-4-yl)-2-oxoethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-(oxan-4-yl)-2-oxoethyl]thiophene-2-sulfonamide
PubChem CID137417792
Molecular FormulaC11H14ClNO4S2
Molecular Weight323.82 g/mol
Exact Mass323.01
IUPAC Name5-chloro-N-[2-(oxan-4-yl)-2-oxoethyl]thiophene-2-sulfonamide
SMILESO=C(CNS(=O)(=O)c1ccc(Cl)s1)C1CCOCC1
InChIInChI=1S/C11H14ClNO4S2/c12-10-1-2-11(18-10)19(15,16)13-7-9(14)8-3-5-17-6-4-8/h1-2,8,13H,3-7H2
InChIKeyGLSTVIYROJMSPF-UHFFFAOYSA-N
XLogP1.68
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(oxan-4-yl)methanone
CID 31137350
5-chloro-N-(cyclohexylmethyl)thiophene-2-sulfonamide
CID 6470902
N-[2-(aminomethyl)cyclopentyl]-2-[(5-chlorothiophen-2-yl)sulfonylamino]acetamide;hydrochloride
CID 119604012
5-chloro-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide
CID 60894936
(2R,3R)-1-[2-[(5-chlorothiophen-2-yl)sulfonylamino]acetyl]-2-methylpiperidine-3-carboxylic acid
CID 122115765
5-chloro-N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 119624431
3-[(5-chlorothiophen-2-yl)sulfonylamino]-2-hydroxypropanamide
CID 107258327
(2S)-2-[[2-[(5-chlorothiophen-2-yl)sulfonylamino]acetyl]amino]-3-methylbutanoic acid
CID 119359903
N-[(2-bromocyclohexyl)methyl]-5-chlorothiophene-2-sulfonamide
CID 113271784
N-[(3-bromocyclopentyl)methyl]-5-chlorothiophene-2-sulfonamide
CID 106135049
5-chloro-N-[(4-thiophen-2-yloxan-4-yl)methyl]thiophene-2-sulfonamide
CID 30944322
2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 112998754

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(oxan-4-yl)-2-oxoethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[2-(oxan-4-yl)-2-oxoethyl]thiophene-2-sulfonamide (CID 137417792) is 5-chloro-N-[2-(oxan-4-yl)-2-oxoethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-(oxan-4-yl)-2-oxoethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-(oxan-4-yl)-2-oxoethyl]thiophene-2-sulfonamide is O=C(CNS(=O)(=O)c1ccc(Cl)s1)C1CCOCC1.
What is the InChIKey of 5-chloro-N-[2-(oxan-4-yl)-2-oxoethyl]thiophene-2-sulfonamide?
The InChIKey is GLSTVIYROJMSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO4S2/c12-10-1-2-11(18-10)19(15,16)13-7-9(14)8-3-5-17-6-4-8/h1-2,8,13H,3-7H2.
What are the key properties of 5-chloro-N-[2-(oxan-4-yl)-2-oxoethyl]thiophene-2-sulfonamide?
5-chloro-N-[2-(oxan-4-yl)-2-oxoethyl]thiophene-2-sulfonamide has a molecular weight of 323.82 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(oxan-4-yl)-2-oxoethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 137417792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).