4-(pentylcarbamoyl)thiophene-2-sulfonyl chloride

C10H14ClNO3S2 — CID 65368999

IUPAC4-(pentylcarbamoyl)thiophene-2-sulfonyl chloride
SMILESCCCCCNC(=O)c1csc(S(=O)(=O)Cl)c1
InChIInChI=1S/C10H14ClNO3S2/c1-2-3-4-5-12-10(13)8-6-9(16-7-8)17(11,14)15/h6-7H,2-5H2,1H3,(H,12,13)
InChIKeyYNMPJMZKMKXZAM-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.60
Rot. Bonds6

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

4-(pentylcarbamoyl)thiophene-2-sulfonyl chloride (PubChem CID 65368999) has the molecular formula C10H14ClNO3S2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 4-(pentylcarbamoyl)thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name4-(pentylcarbamoyl)thiophene-2-sulfonyl chloride
PubChem CID65368999
Molecular FormulaC10H14ClNO3S2
Molecular Weight295.81 g/mol
Exact Mass295.01
IUPAC Name4-(pentylcarbamoyl)thiophene-2-sulfonyl chloride
SMILESCCCCCNC(=O)c1csc(S(=O)(=O)Cl)c1
InChIInChI=1S/C10H14ClNO3S2/c1-2-3-4-5-12-10(13)8-6-9(16-7-8)17(11,14)15/h6-7H,2-5H2,1H3,(H,12,13)
InChIKeyYNMPJMZKMKXZAM-UHFFFAOYSA-N
XLogP2.60
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.60
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-(hexylcarbamoyl)thiophene-2-sulfonyl chloride
CID 65397268
4-(2-propan-2-yloxyethylcarbamoyl)thiophene-2-sulfonyl chloride
CID 104766562
4-(dibutylcarbamoyl)thiophene-2-sulfonyl chloride
CID 65370094
4-[(4-ethylcyclohexyl)methylcarbamoyl]thiophene-2-sulfonyl chloride
CID 65397370
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
4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]thiophene-2-sulfonyl chloride
CID 79357188
methyl 5-chlorosulfonylthiophene-3-carboxylate
CID 43414198
5-sulfamoyl-N-(5,5,5-trifluoropentyl)thiophene-3-carboxamide
CID 115491568
4-(oxolan-2-ylmethylcarbamoyl)thiophene-2-sulfonyl chloride
CID 65368622

Frequently Asked Questions

What is the IUPAC name of 4-(pentylcarbamoyl)thiophene-2-sulfonyl chloride?
The IUPAC name of 4-(pentylcarbamoyl)thiophene-2-sulfonyl chloride (CID 65368999) is 4-(pentylcarbamoyl)thiophene-2-sulfonyl chloride.
What is the SMILES notation for 4-(pentylcarbamoyl)thiophene-2-sulfonyl chloride?
The canonical SMILES for 4-(pentylcarbamoyl)thiophene-2-sulfonyl chloride is CCCCCNC(=O)c1csc(S(=O)(=O)Cl)c1.
What is the InChIKey of 4-(pentylcarbamoyl)thiophene-2-sulfonyl chloride?
The InChIKey is YNMPJMZKMKXZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO3S2/c1-2-3-4-5-12-10(13)8-6-9(16-7-8)17(11,14)15/h6-7H,2-5H2,1H3,(H,12,13).
What are the key properties of 4-(pentylcarbamoyl)thiophene-2-sulfonyl chloride?
4-(pentylcarbamoyl)thiophene-2-sulfonyl chloride has a molecular weight of 295.81 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pentylcarbamoyl)thiophene-2-sulfonyl chloride is sourced from PubChem (CID 65368999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).