N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide

C15H17NO2S2 — CID 47158476

IUPACN-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2cccs2)C2CC2)cc1
InChIInChI=1S/C15H17NO2S2/c1-12-4-8-15(9-5-12)20(17,18)16(13-6-7-13)11-14-3-2-10-19-14/h2-5,8-10,13H,6-7,11H2,1H3
InChIKeyGJCDXQKWBCNBLJ-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.41
Rot. Bonds5

About N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide

N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 47158476) has the molecular formula C15H17NO2S2 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID47158476
Molecular FormulaC15H17NO2S2
Molecular Weight307.44 g/mol
Exact Mass307.07
IUPAC NameN-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2cccs2)C2CC2)cc1
InChIInChI=1S/C15H17NO2S2/c1-12-4-8-15(9-5-12)20(17,18)16(13-6-7-13)11-14-3-2-10-19-14/h2-5,8-10,13H,6-7,11H2,1H3
InChIKeyGJCDXQKWBCNBLJ-UHFFFAOYSA-N
XLogP3.41
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-cyclopentyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 3837819
N-cyclopropyl-6-oxo-N-(thiophen-2-ylmethyl)-1H-pyridine-3-sulfonamide
CID 60960278
3-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47158478
2-(chloromethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide
CID 102750604
2-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide
CID 102752582
N-cyclopropyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90496094
N-cyclopropyl-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90496096
N-cyclopropyl-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 35389306
N-cyclopropyl-4-[methyl-(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)benzamide
CID 46402431
4-N-cyclopropyl-1-N-(oxolan-2-ylmethyl)-4-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide
CID 3189952
N-cyclopropyl-N-(thiophen-2-ylmethyl)propane-1-sulfonamide
CID 61383748
3-chloro-N-cyclopropyl-4-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90496126

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 47158476) is N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(Cc2cccs2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is GJCDXQKWBCNBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S2/c1-12-4-8-15(9-5-12)20(17,18)16(13-6-7-13)11-14-3-2-10-19-14/h2-5,8-10,13H,6-7,11H2,1H3.
What are the key properties of N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 307.44 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 47158476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).