N-ethyl-N-naphthalen-1-ylthiophene-2-sulfonamide

C16H15NO2S2 — CID 2474125

IUPACN-ethyl-N-naphthalen-1-ylthiophene-2-sulfonamide
SMILESCCN(c1cccc2ccccc12)S(=O)(=O)c1cccs1
InChIInChI=1S/C16H15NO2S2/c1-2-17(21(18,19)16-11-6-12-20-16)15-10-5-8-13-7-3-4-9-14(13)15/h3-12H,2H2,1H3
InChIKeyZHRAVEAPSHYHRU-UHFFFAOYSA-N
MW317.44 g/mol
LogP4.12
Rot. Bonds4

About N-ethyl-N-naphthalen-1-ylthiophene-2-sulfonamide

N-ethyl-N-naphthalen-1-ylthiophene-2-sulfonamide (PubChem CID 2474125) has the molecular formula C16H15NO2S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is N-ethyl-N-naphthalen-1-ylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-naphthalen-1-ylthiophene-2-sulfonamide
PubChem CID2474125
Molecular FormulaC16H15NO2S2
Molecular Weight317.44 g/mol
Exact Mass317.05
IUPAC NameN-ethyl-N-naphthalen-1-ylthiophene-2-sulfonamide
SMILESCCN(c1cccc2ccccc12)S(=O)(=O)c1cccs1
InChIInChI=1S/C16H15NO2S2/c1-2-17(21(18,19)16-11-6-12-20-16)15-10-5-8-13-7-3-4-9-14(13)15/h3-12H,2H2,1H3
InChIKeyZHRAVEAPSHYHRU-UHFFFAOYSA-N
XLogP4.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Thiophene-2-sulfonyl)-2,3-dihydro-1H-indole
CID 654187
N-(1-naphthyl)-2-thiophenesulfonamide
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2,5-dimethyl-N-(naphthalen-2-yl)thiophene-3-sulfonamide
CID 687985
2-[(7-Fluoro-2-methyl-1,2,3,4-tetrahydroquinolyl)sulfonyl]thiophene
CID 2942513
N-[[4-(diethylamino)phenyl]methyl]-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 71624059
2-{[4-(2-Methylphenyl)piperazinyl]sulfonyl}thiophene
CID 6470203
1-(Thiophen-2-ylsulfonyl)-1,2,3,4-tetrahydroquinoline
CID 2051438
4-(benzenesulfonyl)-5H-thieno[3,2-c]isoquinoline
CID 147561152
1-(2,3-Dimethyl-phenyl)-4-(thiophene-2-sulfonyl)-piperazine
CID 894111
2-Methyl-1-(2-thienylsulfonyl)indoline
CID 2943362
N-1-naphthyl-N'-(2-thienylsulfonyl)benzenecarboximidamide
CID 5922464
2-[[5-(Dimethylamino)naphthalen-1-yl]sulfonyl-(2-thiophen-2-ylethyl)amino]acetic acid
CID 59051340

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-naphthalen-1-ylthiophene-2-sulfonamide?
The IUPAC name of N-ethyl-N-naphthalen-1-ylthiophene-2-sulfonamide (CID 2474125) is N-ethyl-N-naphthalen-1-ylthiophene-2-sulfonamide.
What is the SMILES notation for N-ethyl-N-naphthalen-1-ylthiophene-2-sulfonamide?
The canonical SMILES for N-ethyl-N-naphthalen-1-ylthiophene-2-sulfonamide is CCN(c1cccc2ccccc12)S(=O)(=O)c1cccs1.
What is the InChIKey of N-ethyl-N-naphthalen-1-ylthiophene-2-sulfonamide?
The InChIKey is ZHRAVEAPSHYHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S2/c1-2-17(21(18,19)16-11-6-12-20-16)15-10-5-8-13-7-3-4-9-14(13)15/h3-12H,2H2,1H3.
What are the key properties of N-ethyl-N-naphthalen-1-ylthiophene-2-sulfonamide?
N-ethyl-N-naphthalen-1-ylthiophene-2-sulfonamide has a molecular weight of 317.44 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-naphthalen-1-ylthiophene-2-sulfonamide is sourced from PubChem (CID 2474125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).