N-cyclopropyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide

C15H17NO2S2 — CID 90496094

IUPACN-cyclopropyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(CCc1cccs1)C1CC1
InChIInChI=1S/C15H17NO2S2/c17-20(18,15-6-2-1-3-7-15)16(13-8-9-13)11-10-14-5-4-12-19-14/h1-7,12-13H,8-11H2
InChIKeyPYSVQOGFLPVGSI-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.14
Rot. Bonds6

About N-cyclopropyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide

N-cyclopropyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide (PubChem CID 90496094) has the molecular formula C15H17NO2S2 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-cyclopropyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
PubChem CID90496094
Molecular FormulaC15H17NO2S2
Molecular Weight307.44 g/mol
Exact Mass307.07
IUPAC NameN-cyclopropyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(CCc1cccs1)C1CC1
InChIInChI=1S/C15H17NO2S2/c17-20(18,15-6-2-1-3-7-15)16(13-8-9-13)11-10-14-5-4-12-19-14/h1-7,12-13H,8-11H2
InChIKeyPYSVQOGFLPVGSI-UHFFFAOYSA-N
XLogP3.14
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-fluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90496100
3-chloro-N-cyclopropyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90496109
N-cyclopropyl-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90496096
3-chloro-N-cyclopropyl-4-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90496126
N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47158476
N-cyclopropyl-2,5-dimethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90496104
N-cyclopropyl-4-ethoxy-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 71781441
3-nitro-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90611161
3-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47158478
N-cyclopropyl-5-ethyl-2-methoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90496140
N-cyclopropyl-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 35389306
1-(3-chlorophenyl)-N-cyclopropyl-N-(2-thiophen-2-ylethyl)methanesulfonamide
CID 90496128

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide (CID 90496094) is N-cyclopropyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide is O=S(=O)(c1ccccc1)N(CCc1cccs1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The InChIKey is PYSVQOGFLPVGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S2/c17-20(18,15-6-2-1-3-7-15)16(13-8-9-13)11-10-14-5-4-12-19-14/h1-7,12-13H,8-11H2.
What are the key properties of N-cyclopropyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
N-cyclopropyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide has a molecular weight of 307.44 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 90496094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).