N-[3-(1,3-dithiolan-2-yl)phenyl]-5-ethylthiophene-2-sulfonamide

C15H17NO2S4 — CID 71890365

IUPACN-[3-(1,3-dithiolan-2-yl)phenyl]-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2cccc(C3SCCS3)c2)s1
InChIInChI=1S/C15H17NO2S4/c1-2-13-6-7-14(21-13)22(17,18)16-12-5-3-4-11(10-12)15-19-8-9-20-15/h3-7,10,15-16H,2,8-9H2,1H3
InChIKeyNTGCQGDAJFGLDU-UHFFFAOYSA-N
MW371.57 g/mol
LogP4.59
Rot. Bonds5

About N-[3-(1,3-dithiolan-2-yl)phenyl]-5-ethylthiophene-2-sulfonamide

N-[3-(1,3-dithiolan-2-yl)phenyl]-5-ethylthiophene-2-sulfonamide (PubChem CID 71890365) has the molecular formula C15H17NO2S4 and a molecular weight of 371.57 g/mol. Its IUPAC name is N-[3-(1,3-dithiolan-2-yl)phenyl]-5-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(1,3-dithiolan-2-yl)phenyl]-5-ethylthiophene-2-sulfonamide
PubChem CID71890365
Molecular FormulaC15H17NO2S4
Molecular Weight371.57 g/mol
Exact Mass371.01
IUPAC NameN-[3-(1,3-dithiolan-2-yl)phenyl]-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2cccc(C3SCCS3)c2)s1
InChIInChI=1S/C15H17NO2S4/c1-2-13-6-7-14(21-13)22(17,18)16-12-5-3-4-11(10-12)15-19-8-9-20-15/h3-7,10,15-16H,2,8-9H2,1H3
InChIKeyNTGCQGDAJFGLDU-UHFFFAOYSA-N
XLogP4.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.57
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[3-(1,3-dithiolan-2-yl)phenyl]thiophene-2-sulfonamide
CID 27658375
5-ethyl-N-(3-fluorophenyl)thiophene-2-sulfonamide
CID 47309123
N-[3-(1,3-dithiolan-2-yl)phenyl]-4-methylbenzenesulfonamide
CID 27658327
N-[3-(1-aminoethyl)phenyl]-5-ethylthiophene-2-sulfonamide
CID 61454557
N-(3,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide
CID 47308966
5-ethyl-N-(3-morpholin-4-ylphenyl)thiophene-2-sulfonamide
CID 110362404
N-[3-(1,3-dithiolan-2-yl)phenyl]-4-propan-2-ylbenzenesulfonamide
CID 27658350
5-ethyl-N-(4-iodophenyl)thiophene-2-sulfonamide
CID 47309223
N-(3,5-dichlorophenyl)-5-ethylthiophene-2-sulfonamide
CID 113098917
N-(4-amino-3-methylphenyl)-5-ethylthiophene-2-sulfonamide
CID 54984022
5-ethyl-N-pyrimidin-2-ylthiophene-2-sulfonamide
CID 75517993
N-(3-iodophenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106029311

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dithiolan-2-yl)phenyl]-5-ethylthiophene-2-sulfonamide?
The IUPAC name of N-[3-(1,3-dithiolan-2-yl)phenyl]-5-ethylthiophene-2-sulfonamide (CID 71890365) is N-[3-(1,3-dithiolan-2-yl)phenyl]-5-ethylthiophene-2-sulfonamide.
What is the SMILES notation for N-[3-(1,3-dithiolan-2-yl)phenyl]-5-ethylthiophene-2-sulfonamide?
The canonical SMILES for N-[3-(1,3-dithiolan-2-yl)phenyl]-5-ethylthiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)Nc2cccc(C3SCCS3)c2)s1.
What is the InChIKey of N-[3-(1,3-dithiolan-2-yl)phenyl]-5-ethylthiophene-2-sulfonamide?
The InChIKey is NTGCQGDAJFGLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S4/c1-2-13-6-7-14(21-13)22(17,18)16-12-5-3-4-11(10-12)15-19-8-9-20-15/h3-7,10,15-16H,2,8-9H2,1H3.
What are the key properties of N-[3-(1,3-dithiolan-2-yl)phenyl]-5-ethylthiophene-2-sulfonamide?
N-[3-(1,3-dithiolan-2-yl)phenyl]-5-ethylthiophene-2-sulfonamide has a molecular weight of 371.57 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dithiolan-2-yl)phenyl]-5-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 71890365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).