5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide

C14H16ClNO4S2 — CID 2353985

IUPAC5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide
SMILESCOc1ccc(CCNS(=O)(=O)c2ccc(Cl)s2)cc1OC
InChIInChI=1S/C14H16ClNO4S2/c1-19-11-4-3-10(9-12(11)20-2)7-8-16-22(17,18)14-6-5-13(15)21-14/h3-6,9,16H,7-8H2,1-2H3
InChIKeyMNFMJOVAHIRBMO-UHFFFAOYSA-N
MW361.87 g/mol
LogP2.94
Rot. Bonds7

About 5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide

5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide (PubChem CID 2353985) has the molecular formula C14H16ClNO4S2 and a molecular weight of 361.87 g/mol. Its IUPAC name is 5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide
PubChem CID2353985
Molecular FormulaC14H16ClNO4S2
Molecular Weight361.87 g/mol
Exact Mass361.02
IUPAC Name5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide
SMILESCOc1ccc(CCNS(=O)(=O)c2ccc(Cl)s2)cc1OC
InChIInChI=1S/C14H16ClNO4S2/c1-19-11-4-3-10(9-12(11)20-2)7-8-16-22(17,18)14-6-5-13(15)21-14/h3-6,9,16H,7-8H2,1-2H3
InChIKeyMNFMJOVAHIRBMO-UHFFFAOYSA-N
XLogP2.94
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide (CID 2353985) is 5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide is COc1ccc(CCNS(=O)(=O)c2ccc(Cl)s2)cc1OC.
What is the InChIKey of 5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide?
The InChIKey is MNFMJOVAHIRBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO4S2/c1-19-11-4-3-10(9-12(11)20-2)7-8-16-22(17,18)14-6-5-13(15)21-14/h3-6,9,16H,7-8H2,1-2H3.
What are the key properties of 5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide?
5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide has a molecular weight of 361.87 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 2353985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).