4-(2-methoxypropylcarbamoyl)thiophene-2-sulfonyl chloride

C9H12ClNO4S2 — CID 102701127

IUPAC4-(2-methoxypropylcarbamoyl)thiophene-2-sulfonyl chloride
SMILESCOC(C)CNC(=O)c1csc(S(=O)(=O)Cl)c1
InChIInChI=1S/C9H12ClNO4S2/c1-6(15-2)4-11-9(12)7-3-8(16-5-7)17(10,13)14/h3,5-6H,4H2,1-2H3,(H,11,12)
InChIKeyISEUWJWALHMBBM-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.44
Rot. Bonds5

About 4-(2-methoxypropylcarbamoyl)thiophene-2-sulfonyl chloride

4-(2-methoxypropylcarbamoyl)thiophene-2-sulfonyl chloride (PubChem CID 102701127) has the molecular formula C9H12ClNO4S2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 4-(2-methoxypropylcarbamoyl)thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name4-(2-methoxypropylcarbamoyl)thiophene-2-sulfonyl chloride
PubChem CID102701127
Molecular FormulaC9H12ClNO4S2
Molecular Weight297.79 g/mol
Exact Mass296.99
IUPAC Name4-(2-methoxypropylcarbamoyl)thiophene-2-sulfonyl chloride
SMILESCOC(C)CNC(=O)c1csc(S(=O)(=O)Cl)c1
InChIInChI=1S/C9H12ClNO4S2/c1-6(15-2)4-11-9(12)7-3-8(16-5-7)17(10,13)14/h3,5-6H,4H2,1-2H3,(H,11,12)
InChIKeyISEUWJWALHMBBM-UHFFFAOYSA-N
XLogP1.44
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-propan-2-yloxyethylcarbamoyl)thiophene-2-sulfonyl chloride
CID 104766562
methyl 5-chlorosulfonylthiophene-3-carboxylate
CID 43414198
4-(pentylcarbamoyl)thiophene-2-sulfonyl chloride
CID 65368999
4-[(4-ethylcyclohexyl)methylcarbamoyl]thiophene-2-sulfonyl chloride
CID 65397370
4-(hexylcarbamoyl)thiophene-2-sulfonyl chloride
CID 65397268
4-(cyclopentylmethylcarbamoyl)thiophene-2-sulfonyl chloride
CID 65371125
4-[(1-methylcyclopentyl)carbamoyl]thiophene-2-sulfonyl chloride
CID 65398442
2-methyl-3-[(5-methylsulfonylthiophene-3-carbonyl)amino]propanoic acid
CID 120687505
3-methyl-4-[(5-methylsulfonylthiophene-3-carbonyl)amino]butanoic acid
CID 120689713
N-(2-methoxypropyl)-3-sulfanylbenzamide
CID 107036660
4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]thiophene-2-sulfonyl chloride
CID 79357188
2,4,5-trichloro-3-(2-methoxypropylcarbamoyl)benzenesulfonyl chloride
CID 102701105

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxypropylcarbamoyl)thiophene-2-sulfonyl chloride?
The IUPAC name of 4-(2-methoxypropylcarbamoyl)thiophene-2-sulfonyl chloride (CID 102701127) is 4-(2-methoxypropylcarbamoyl)thiophene-2-sulfonyl chloride.
What is the SMILES notation for 4-(2-methoxypropylcarbamoyl)thiophene-2-sulfonyl chloride?
The canonical SMILES for 4-(2-methoxypropylcarbamoyl)thiophene-2-sulfonyl chloride is COC(C)CNC(=O)c1csc(S(=O)(=O)Cl)c1.
What is the InChIKey of 4-(2-methoxypropylcarbamoyl)thiophene-2-sulfonyl chloride?
The InChIKey is ISEUWJWALHMBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO4S2/c1-6(15-2)4-11-9(12)7-3-8(16-5-7)17(10,13)14/h3,5-6H,4H2,1-2H3,(H,11,12).
What are the key properties of 4-(2-methoxypropylcarbamoyl)thiophene-2-sulfonyl chloride?
4-(2-methoxypropylcarbamoyl)thiophene-2-sulfonyl chloride has a molecular weight of 297.79 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxypropylcarbamoyl)thiophene-2-sulfonyl chloride is sourced from PubChem (CID 102701127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).