4-(hexylcarbamoyl)thiophene-2-sulfonyl chloride

C11H16ClNO3S2 — CID 65397268

IUPAC4-(hexylcarbamoyl)thiophene-2-sulfonyl chloride
SMILESCCCCCCNC(=O)c1csc(S(=O)(=O)Cl)c1
InChIInChI=1S/C11H16ClNO3S2/c1-2-3-4-5-6-13-11(14)9-7-10(17-8-9)18(12,15)16/h7-8H,2-6H2,1H3,(H,13,14)
InChIKeyVNOHRZIVNDXFRC-UHFFFAOYSA-N
MW309.84 g/mol
LogP2.99
Rot. Bonds7

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

4-(hexylcarbamoyl)thiophene-2-sulfonyl chloride (PubChem CID 65397268) has the molecular formula C11H16ClNO3S2 and a molecular weight of 309.84 g/mol. Its IUPAC name is 4-(hexylcarbamoyl)thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name4-(hexylcarbamoyl)thiophene-2-sulfonyl chloride
PubChem CID65397268
Molecular FormulaC11H16ClNO3S2
Molecular Weight309.84 g/mol
Exact Mass309.03
IUPAC Name4-(hexylcarbamoyl)thiophene-2-sulfonyl chloride
SMILESCCCCCCNC(=O)c1csc(S(=O)(=O)Cl)c1
InChIInChI=1S/C11H16ClNO3S2/c1-2-3-4-5-6-13-11(14)9-7-10(17-8-9)18(12,15)16/h7-8H,2-6H2,1H3,(H,13,14)
InChIKeyVNOHRZIVNDXFRC-UHFFFAOYSA-N
XLogP2.99
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(pentylcarbamoyl)thiophene-2-sulfonyl chloride
CID 65368999
4-(2-propan-2-yloxyethylcarbamoyl)thiophene-2-sulfonyl chloride
CID 104766562
8-[(5-methylsulfonylthiophene-3-carbonyl)amino]octanoic acid
CID 120689510
4-(nonylcarbamoyl)benzenesulfonyl chloride
CID 110823481
5-[(5-sulfamoylthiophene-3-carbonyl)amino]pentanoic acid
CID 119235236
4-[(1-methylcyclopentyl)carbamoyl]thiophene-2-sulfonyl chloride
CID 65398442
5-(hexylcarbamoyl)-2-methoxybenzenesulfonyl chloride
CID 65397075
N-hexyl-3,4-dimethylbenzamide
CID 4523484
methyl 5-chlorosulfonylthiophene-3-carboxylate
CID 43414198
5-sulfamoyl-N-(5,5,5-trifluoropentyl)thiophene-3-carboxamide
CID 115491568
3-(ethylsulfamoyl)-N-hexylbenzamide
CID 46538065
N-hexylpyridine-4-carboxamide
CID 3423732

Frequently Asked Questions

What is the IUPAC name of 4-(hexylcarbamoyl)thiophene-2-sulfonyl chloride?
The IUPAC name of 4-(hexylcarbamoyl)thiophene-2-sulfonyl chloride (CID 65397268) is 4-(hexylcarbamoyl)thiophene-2-sulfonyl chloride.
What is the SMILES notation for 4-(hexylcarbamoyl)thiophene-2-sulfonyl chloride?
The canonical SMILES for 4-(hexylcarbamoyl)thiophene-2-sulfonyl chloride is CCCCCCNC(=O)c1csc(S(=O)(=O)Cl)c1.
What is the InChIKey of 4-(hexylcarbamoyl)thiophene-2-sulfonyl chloride?
The InChIKey is VNOHRZIVNDXFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO3S2/c1-2-3-4-5-6-13-11(14)9-7-10(17-8-9)18(12,15)16/h7-8H,2-6H2,1H3,(H,13,14).
What are the key properties of 4-(hexylcarbamoyl)thiophene-2-sulfonyl chloride?
4-(hexylcarbamoyl)thiophene-2-sulfonyl chloride has a molecular weight of 309.84 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hexylcarbamoyl)thiophene-2-sulfonyl chloride is sourced from PubChem (CID 65397268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).