4-[(4-ethylcyclohexyl)methylcarbamoyl]thiophene-2-sulfonyl chloride

C14H20ClNO3S2 — CID 65397370

IUPAC4-[(4-ethylcyclohexyl)methylcarbamoyl]thiophene-2-sulfonyl chloride
SMILESCCC1CCC(CNC(=O)c2csc(S(=O)(=O)Cl)c2)CC1
InChIInChI=1S/C14H20ClNO3S2/c1-2-10-3-5-11(6-4-10)8-16-14(17)12-7-13(20-9-12)21(15,18)19/h7,9-11H,2-6,8H2,1H3,(H,16,17)
InChIKeyBFRACASHRNHJCG-UHFFFAOYSA-N
MW349.91 g/mol
LogP3.62
Rot. Bonds5

About 4-[(4-ethylcyclohexyl)methylcarbamoyl]thiophene-2-sulfonyl chloride

4-[(4-ethylcyclohexyl)methylcarbamoyl]thiophene-2-sulfonyl chloride (PubChem CID 65397370) has the molecular formula C14H20ClNO3S2 and a molecular weight of 349.91 g/mol. Its IUPAC name is 4-[(4-ethylcyclohexyl)methylcarbamoyl]thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name4-[(4-ethylcyclohexyl)methylcarbamoyl]thiophene-2-sulfonyl chloride
PubChem CID65397370
Molecular FormulaC14H20ClNO3S2
Molecular Weight349.91 g/mol
Exact Mass349.06
IUPAC Name4-[(4-ethylcyclohexyl)methylcarbamoyl]thiophene-2-sulfonyl chloride
SMILESCCC1CCC(CNC(=O)c2csc(S(=O)(=O)Cl)c2)CC1
InChIInChI=1S/C14H20ClNO3S2/c1-2-10-3-5-11(6-4-10)8-16-14(17)12-7-13(20-9-12)21(15,18)19/h7,9-11H,2-6,8H2,1H3,(H,16,17)
InChIKeyBFRACASHRNHJCG-UHFFFAOYSA-N
XLogP3.62
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.91
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylcyclohexyl)methylcarbamoyl]thiophene-2-sulfonyl chloride?
The IUPAC name of 4-[(4-ethylcyclohexyl)methylcarbamoyl]thiophene-2-sulfonyl chloride (CID 65397370) is 4-[(4-ethylcyclohexyl)methylcarbamoyl]thiophene-2-sulfonyl chloride.
What is the SMILES notation for 4-[(4-ethylcyclohexyl)methylcarbamoyl]thiophene-2-sulfonyl chloride?
The canonical SMILES for 4-[(4-ethylcyclohexyl)methylcarbamoyl]thiophene-2-sulfonyl chloride is CCC1CCC(CNC(=O)c2csc(S(=O)(=O)Cl)c2)CC1.
What is the InChIKey of 4-[(4-ethylcyclohexyl)methylcarbamoyl]thiophene-2-sulfonyl chloride?
The InChIKey is BFRACASHRNHJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3S2/c1-2-10-3-5-11(6-4-10)8-16-14(17)12-7-13(20-9-12)21(15,18)19/h7,9-11H,2-6,8H2,1H3,(H,16,17).
What are the key properties of 4-[(4-ethylcyclohexyl)methylcarbamoyl]thiophene-2-sulfonyl chloride?
4-[(4-ethylcyclohexyl)methylcarbamoyl]thiophene-2-sulfonyl chloride has a molecular weight of 349.91 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylcyclohexyl)methylcarbamoyl]thiophene-2-sulfonyl chloride is sourced from PubChem (CID 65397370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).