3-methyl-4-(oxolan-3-ylmethylcarbamoyl)thiophene-2-sulfonyl chloride

C11H14ClNO4S2 — CID 79808782

IUPAC3-methyl-4-(oxolan-3-ylmethylcarbamoyl)thiophene-2-sulfonyl chloride
SMILESCc1c(C(=O)NCC2CCOC2)csc1S(=O)(=O)Cl
InChIInChI=1S/C11H14ClNO4S2/c1-7-9(6-18-11(7)19(12,15)16)10(14)13-4-8-2-3-17-5-8/h6,8H,2-5H2,1H3,(H,13,14)
InChIKeyQENDAJCOAVLADZ-UHFFFAOYSA-N
MW323.82 g/mol
LogP1.75
Rot. Bonds4

About 3-methyl-4-(oxolan-3-ylmethylcarbamoyl)thiophene-2-sulfonyl chloride

3-methyl-4-(oxolan-3-ylmethylcarbamoyl)thiophene-2-sulfonyl chloride (PubChem CID 79808782) has the molecular formula C11H14ClNO4S2 and a molecular weight of 323.82 g/mol. Its IUPAC name is 3-methyl-4-(oxolan-3-ylmethylcarbamoyl)thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name3-methyl-4-(oxolan-3-ylmethylcarbamoyl)thiophene-2-sulfonyl chloride
PubChem CID79808782
Molecular FormulaC11H14ClNO4S2
Molecular Weight323.82 g/mol
Exact Mass323.01
IUPAC Name3-methyl-4-(oxolan-3-ylmethylcarbamoyl)thiophene-2-sulfonyl chloride
SMILESCc1c(C(=O)NCC2CCOC2)csc1S(=O)(=O)Cl
InChIInChI=1S/C11H14ClNO4S2/c1-7-9(6-18-11(7)19(12,15)16)10(14)13-4-8-2-3-17-5-8/h6,8H,2-5H2,1H3,(H,13,14)
InChIKeyQENDAJCOAVLADZ-UHFFFAOYSA-N
XLogP1.75
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dimethyl-5-(oxolan-3-ylmethylcarbamoyl)benzenesulfonyl chloride
CID 65398563
4-[(4-ethylcyclohexyl)carbamoyl]-3-methylthiophene-2-sulfonyl chloride
CID 79808812
5-chloro-2-fluoro-3-(oxolan-3-ylmethylcarbamoyl)benzenesulfonyl chloride
CID 65396644
2-ethyl-5-(oxolan-3-ylmethylcarbamoyl)benzenesulfonyl chloride
CID 65396832
2-chloro-4-fluoro-5-(oxolan-3-ylmethylcarbamoyl)benzenesulfonyl chloride
CID 65397219
3-methyl-4-[(4-methylcyclohexyl)carbamoyl]thiophene-2-sulfonyl chloride
CID 79808381
4-methyl-N-(oxan-2-ylmethyl)-5-sulfamoylthiophene-3-carboxamide
CID 79819213
2-cyclopropylethyl 5-chlorosulfonyl-4-methylthiophene-3-carboxylate
CID 106206949
4-chloro-3-(oxan-3-ylmethylcarbamoyl)benzenesulfonyl chloride
CID 65396604
5-bromo-2-chloro-N-(oxolan-3-ylmethyl)benzamide
CID 47179450
2,4-dihydroxy-N-(oxolan-3-ylmethyl)benzamide
CID 103614166
2-chloro-4-fluoro-N-(oxolan-3-ylmethyl)-5-sulfamoylbenzamide
CID 65387506

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(oxolan-3-ylmethylcarbamoyl)thiophene-2-sulfonyl chloride?
The IUPAC name of 3-methyl-4-(oxolan-3-ylmethylcarbamoyl)thiophene-2-sulfonyl chloride (CID 79808782) is 3-methyl-4-(oxolan-3-ylmethylcarbamoyl)thiophene-2-sulfonyl chloride.
What is the SMILES notation for 3-methyl-4-(oxolan-3-ylmethylcarbamoyl)thiophene-2-sulfonyl chloride?
The canonical SMILES for 3-methyl-4-(oxolan-3-ylmethylcarbamoyl)thiophene-2-sulfonyl chloride is Cc1c(C(=O)NCC2CCOC2)csc1S(=O)(=O)Cl.
What is the InChIKey of 3-methyl-4-(oxolan-3-ylmethylcarbamoyl)thiophene-2-sulfonyl chloride?
The InChIKey is QENDAJCOAVLADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO4S2/c1-7-9(6-18-11(7)19(12,15)16)10(14)13-4-8-2-3-17-5-8/h6,8H,2-5H2,1H3,(H,13,14).
What are the key properties of 3-methyl-4-(oxolan-3-ylmethylcarbamoyl)thiophene-2-sulfonyl chloride?
3-methyl-4-(oxolan-3-ylmethylcarbamoyl)thiophene-2-sulfonyl chloride has a molecular weight of 323.82 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(oxolan-3-ylmethylcarbamoyl)thiophene-2-sulfonyl chloride is sourced from PubChem (CID 79808782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).