4-(dibutylcarbamoyl)thiophene-2-sulfonyl chloride

C13H20ClNO3S2 — CID 65370094

IUPAC4-(dibutylcarbamoyl)thiophene-2-sulfonyl chloride
SMILESCCCCN(CCCC)C(=O)c1csc(S(=O)(=O)Cl)c1
InChIInChI=1S/C13H20ClNO3S2/c1-3-5-7-15(8-6-4-2)13(16)11-9-12(19-10-11)20(14,17)18/h9-10H,3-8H2,1-2H3
InChIKeyLENUWRQSNLCGIB-UHFFFAOYSA-N
MW337.89 g/mol
LogP3.72
Rot. Bonds8

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

4-(dibutylcarbamoyl)thiophene-2-sulfonyl chloride (PubChem CID 65370094) has the molecular formula C13H20ClNO3S2 and a molecular weight of 337.89 g/mol. Its IUPAC name is 4-(dibutylcarbamoyl)thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name4-(dibutylcarbamoyl)thiophene-2-sulfonyl chloride
PubChem CID65370094
Molecular FormulaC13H20ClNO3S2
Molecular Weight337.89 g/mol
Exact Mass337.06
IUPAC Name4-(dibutylcarbamoyl)thiophene-2-sulfonyl chloride
SMILESCCCCN(CCCC)C(=O)c1csc(S(=O)(=O)Cl)c1
InChIInChI=1S/C13H20ClNO3S2/c1-3-5-7-15(8-6-4-2)13(16)11-9-12(19-10-11)20(14,17)18/h9-10H,3-8H2,1-2H3
InChIKeyLENUWRQSNLCGIB-UHFFFAOYSA-N
XLogP3.72
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.89
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(pentylcarbamoyl)thiophene-2-sulfonyl chloride
CID 65368999
4-(hexylcarbamoyl)thiophene-2-sulfonyl chloride
CID 65397268
N-butyl-N-methyl-5-sulfamoylthiophene-3-carboxamide
CID 62223262
4-(dibutylcarbamoyl)benzenesulfonyl chloride
CID 43125989
N-butyl-N-(2-hydroxyethyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 79695876
5-iodo-N,N-dipropylthiophene-3-carboxamide
CID 78948915
5-[butyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-3-carboxylic acid
CID 60951577
4-[(4-ethylcyclohexyl)methylcarbamoyl]thiophene-2-sulfonyl chloride
CID 65397370
2-methylpentyl 5-chlorosulfonylthiophene-3-carboxylate
CID 103286114
N-butyl-3,5-dimethyl-N-propylbenzamide
CID 142843547
N,N-dibutyl-3,4,5-trifluorobenzamide
CID 63188520
4-(dibutylcarbamoylamino)benzenesulfonyl chloride
CID 2758054

Frequently Asked Questions

What is the IUPAC name of 4-(dibutylcarbamoyl)thiophene-2-sulfonyl chloride?
The IUPAC name of 4-(dibutylcarbamoyl)thiophene-2-sulfonyl chloride (CID 65370094) is 4-(dibutylcarbamoyl)thiophene-2-sulfonyl chloride.
What is the SMILES notation for 4-(dibutylcarbamoyl)thiophene-2-sulfonyl chloride?
The canonical SMILES for 4-(dibutylcarbamoyl)thiophene-2-sulfonyl chloride is CCCCN(CCCC)C(=O)c1csc(S(=O)(=O)Cl)c1.
What is the InChIKey of 4-(dibutylcarbamoyl)thiophene-2-sulfonyl chloride?
The InChIKey is LENUWRQSNLCGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO3S2/c1-3-5-7-15(8-6-4-2)13(16)11-9-12(19-10-11)20(14,17)18/h9-10H,3-8H2,1-2H3.
What are the key properties of 4-(dibutylcarbamoyl)thiophene-2-sulfonyl chloride?
4-(dibutylcarbamoyl)thiophene-2-sulfonyl chloride has a molecular weight of 337.89 g/mol, XLogP of 3.72, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dibutylcarbamoyl)thiophene-2-sulfonyl chloride is sourced from PubChem (CID 65370094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).