5-chloro-N-methyl-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide

C11H16ClNO3S2 — CID 91905222

IUPAC5-chloro-N-methyl-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide
SMILESCN(CC1CCOCC1)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H16ClNO3S2/c1-13(8-9-4-6-16-7-5-9)18(14,15)11-3-2-10(12)17-11/h2-3,9H,4-8H2,1H3
InChIKeyDANMKWRLPAIHIF-UHFFFAOYSA-N
MW309.84 g/mol
LogP2.45
Rot. Bonds4

About 5-chloro-N-methyl-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide

5-chloro-N-methyl-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide (PubChem CID 91905222) has the molecular formula C11H16ClNO3S2 and a molecular weight of 309.84 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-methyl-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide
PubChem CID91905222
Molecular FormulaC11H16ClNO3S2
Molecular Weight309.84 g/mol
Exact Mass309.03
IUPAC Name5-chloro-N-methyl-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide
SMILESCN(CC1CCOCC1)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H16ClNO3S2/c1-13(8-9-4-6-16-7-5-9)18(14,15)11-3-2-10(12)17-11/h2-3,9H,4-8H2,1H3
InChIKeyDANMKWRLPAIHIF-UHFFFAOYSA-N
XLogP2.45
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-methyl-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide (CID 91905222) is 5-chloro-N-methyl-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-methyl-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-methyl-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide is CN(CC1CCOCC1)S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-methyl-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is DANMKWRLPAIHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO3S2/c1-13(8-9-4-6-16-7-5-9)18(14,15)11-3-2-10(12)17-11/h2-3,9H,4-8H2,1H3.
What are the key properties of 5-chloro-N-methyl-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide?
5-chloro-N-methyl-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 309.84 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 91905222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).