5-chloro-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)thiophene-2-sulfonamide

C12H16ClNO4S2 — CID 18583969

IUPAC5-chloro-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCC1COC2(CCCC2)O1)c1ccc(Cl)s1
InChIInChI=1S/C12H16ClNO4S2/c13-10-3-4-11(19-10)20(15,16)14-7-9-8-17-12(18-9)5-1-2-6-12/h3-4,9,14H,1-2,5-8H2
InChIKeyLKVYBWRBHKPOGV-UHFFFAOYSA-N
MW337.85 g/mol
LogP2.37
Rot. Bonds4

About 5-chloro-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)thiophene-2-sulfonamide

5-chloro-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)thiophene-2-sulfonamide (PubChem CID 18583969) has the molecular formula C12H16ClNO4S2 and a molecular weight of 337.85 g/mol. Its IUPAC name is 5-chloro-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)thiophene-2-sulfonamide
PubChem CID18583969
Molecular FormulaC12H16ClNO4S2
Molecular Weight337.85 g/mol
Exact Mass337.02
IUPAC Name5-chloro-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCC1COC2(CCCC2)O1)c1ccc(Cl)s1
InChIInChI=1S/C12H16ClNO4S2/c13-10-3-4-11(19-10)20(15,16)14-7-9-8-17-12(18-9)5-1-2-6-12/h3-4,9,14H,1-2,5-8H2
InChIKeyLKVYBWRBHKPOGV-UHFFFAOYSA-N
XLogP2.37
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-5-methylthiophene-2-sulfonamide
CID 8698737
N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-3,4-dimethylbenzenesulfonamide
CID 41412210
N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 18583970
N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]methanesulfonamide
CID 8698584
5-chloro-N-(cyclohexylmethyl)thiophene-2-sulfonamide
CID 6470902
N-[(1-aminocycloheptyl)methyl]-5-chlorothiophene-2-sulfonamide;hydrochloride
CID 119998693
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 16823600
N-[(2-bromocyclohexyl)methyl]-5-chlorothiophene-2-sulfonamide
CID 113271784
4-chloro-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)benzamide
CID 18583938
N-[(3-bromocyclopentyl)methyl]-5-chlorothiophene-2-sulfonamide
CID 106135049
2-(4-chlorophenyl)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)acetamide
CID 18583785
5-chloro-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]thiophene-2-sulfonamide
CID 110367046

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)thiophene-2-sulfonamide (CID 18583969) is 5-chloro-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)thiophene-2-sulfonamide is O=S(=O)(NCC1COC2(CCCC2)O1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is LKVYBWRBHKPOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO4S2/c13-10-3-4-11(19-10)20(15,16)14-7-9-8-17-12(18-9)5-1-2-6-12/h3-4,9,14H,1-2,5-8H2.
What are the key properties of 5-chloro-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)thiophene-2-sulfonamide?
5-chloro-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 337.85 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 18583969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).