N-(quinolin-4-ylmethyl)thiophene-2-sulfonamide

C14H12N2O2S2 — CID 110734274

IUPACN-(quinolin-4-ylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ccnc2ccccc12)c1cccs1
InChIInChI=1S/C14H12N2O2S2/c17-20(18,14-6-3-9-19-14)16-10-11-7-8-15-13-5-2-1-4-12(11)13/h1-9,16H,10H2
InChIKeyKKGIUONTGJAHCL-UHFFFAOYSA-N
MW304.40 g/mol
LogP2.77
Rot. Bonds4

About N-(quinolin-4-ylmethyl)thiophene-2-sulfonamide

N-(quinolin-4-ylmethyl)thiophene-2-sulfonamide (PubChem CID 110734274) has the molecular formula C14H12N2O2S2 and a molecular weight of 304.40 g/mol. Its IUPAC name is N-(quinolin-4-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(quinolin-4-ylmethyl)thiophene-2-sulfonamide
PubChem CID110734274
Molecular FormulaC14H12N2O2S2
Molecular Weight304.40 g/mol
Exact Mass304.03
IUPAC NameN-(quinolin-4-ylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ccnc2ccccc12)c1cccs1
InChIInChI=1S/C14H12N2O2S2/c17-20(18,14-6-3-9-19-14)16-10-11-7-8-15-13-5-2-1-4-12(11)13/h1-9,16H,10H2
InChIKeyKKGIUONTGJAHCL-UHFFFAOYSA-N
XLogP2.77
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-N-(quinolin-4-ylmethyl)methanesulfonamide
CID 110734278
4-propan-2-yl-N-(quinolin-4-ylmethyl)benzenesulfonamide
CID 86042080
2-methoxy-5-methyl-N-(quinolin-4-ylmethyl)benzenesulfonamide
CID 110734272
N-(quinolin-4-ylmethyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 76901119
N-[2-[(6-bromoquinolin-4-yl)amino]ethyl]thiophene-2-sulfonamide
CID 133397399
N-(pyridin-4-ylmethyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 112993206
N,N-dimethyl-3-(quinolin-4-ylmethylsulfamoyl)benzamide
CID 77081152
N-(quinolin-4-ylmethyl)-1-thiophen-2-ylpropan-2-amine
CID 63850551
N-methoxy-1-quinolin-4-ylmethanamine
CID 79235633
N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)thiophene-2-sulfonamide
CID 90569727
N-[(5-bromo-2-fluorophenyl)methyl]thiophene-2-sulfonamide
CID 47185676
N-(quinolin-4-ylmethyl)piperidin-1-amine
CID 83006979

Frequently Asked Questions

What is the IUPAC name of N-(quinolin-4-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of N-(quinolin-4-ylmethyl)thiophene-2-sulfonamide (CID 110734274) is N-(quinolin-4-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(quinolin-4-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(quinolin-4-ylmethyl)thiophene-2-sulfonamide is O=S(=O)(NCc1ccnc2ccccc12)c1cccs1.
What is the InChIKey of N-(quinolin-4-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is KKGIUONTGJAHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S2/c17-20(18,14-6-3-9-19-14)16-10-11-7-8-15-13-5-2-1-4-12(11)13/h1-9,16H,10H2.
What are the key properties of N-(quinolin-4-ylmethyl)thiophene-2-sulfonamide?
N-(quinolin-4-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 304.40 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(quinolin-4-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 110734274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).