5-chloro-N-(1,4-dioxan-2-ylmethyl)-N-methylthiophene-2-sulfonamide

C10H14ClNO4S2 — CID 71801592

IUPAC5-chloro-N-(1,4-dioxan-2-ylmethyl)-N-methylthiophene-2-sulfonamide
SMILESCN(CC1COCCO1)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H14ClNO4S2/c1-12(6-8-7-15-4-5-16-8)18(13,14)10-3-2-9(11)17-10/h2-3,8H,4-7H2,1H3
InChIKeyBANUGPIAXCRZTP-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.44
Rot. Bonds4

About 5-chloro-N-(1,4-dioxan-2-ylmethyl)-N-methylthiophene-2-sulfonamide

5-chloro-N-(1,4-dioxan-2-ylmethyl)-N-methylthiophene-2-sulfonamide (PubChem CID 71801592) has the molecular formula C10H14ClNO4S2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 5-chloro-N-(1,4-dioxan-2-ylmethyl)-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(1,4-dioxan-2-ylmethyl)-N-methylthiophene-2-sulfonamide
PubChem CID71801592
Molecular FormulaC10H14ClNO4S2
Molecular Weight311.81 g/mol
Exact Mass311.01
IUPAC Name5-chloro-N-(1,4-dioxan-2-ylmethyl)-N-methylthiophene-2-sulfonamide
SMILESCN(CC1COCCO1)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H14ClNO4S2/c1-12(6-8-7-15-4-5-16-8)18(13,14)10-3-2-9(11)17-10/h2-3,8H,4-7H2,1H3
InChIKeyBANUGPIAXCRZTP-UHFFFAOYSA-N
XLogP1.44
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1,4-dioxan-2-ylmethyl)-N-methylthiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(1,4-dioxan-2-ylmethyl)-N-methylthiophene-2-sulfonamide (CID 71801592) is 5-chloro-N-(1,4-dioxan-2-ylmethyl)-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(1,4-dioxan-2-ylmethyl)-N-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(1,4-dioxan-2-ylmethyl)-N-methylthiophene-2-sulfonamide is CN(CC1COCCO1)S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(1,4-dioxan-2-ylmethyl)-N-methylthiophene-2-sulfonamide?
The InChIKey is BANUGPIAXCRZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO4S2/c1-12(6-8-7-15-4-5-16-8)18(13,14)10-3-2-9(11)17-10/h2-3,8H,4-7H2,1H3.
What are the key properties of 5-chloro-N-(1,4-dioxan-2-ylmethyl)-N-methylthiophene-2-sulfonamide?
5-chloro-N-(1,4-dioxan-2-ylmethyl)-N-methylthiophene-2-sulfonamide has a molecular weight of 311.81 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1,4-dioxan-2-ylmethyl)-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 71801592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).