N-cyclopropyl-4-ethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide

C16H24N2O2S — CID 106599587

IUPACN-cyclopropyl-4-ethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N(CC2CCCN2)C2CC2)cc1
InChIInChI=1S/C16H24N2O2S/c1-2-13-5-9-16(10-6-13)21(19,20)18(15-7-8-15)12-14-4-3-11-17-14/h5-6,9-10,14-15,17H,2-4,7-8,11-12H2,1H3
InChIKeyHFIZRXNBUIJGIP-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.15
Rot. Bonds6

About N-cyclopropyl-4-ethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide

N-cyclopropyl-4-ethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide (PubChem CID 106599587) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-cyclopropyl-4-ethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-ethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
PubChem CID106599587
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-cyclopropyl-4-ethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N(CC2CCCN2)C2CC2)cc1
InChIInChI=1S/C16H24N2O2S/c1-2-13-5-9-16(10-6-13)21(19,20)18(15-7-8-15)12-14-4-3-11-17-14/h5-6,9-10,14-15,17H,2-4,7-8,11-12H2,1H3
InChIKeyHFIZRXNBUIJGIP-UHFFFAOYSA-N
XLogP2.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630089
4-ethyl-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106610228
N-cyclopropyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106599551
4-bromo-N-cyclopropyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 107650210
N-cyclopropyl-5-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide
CID 106599498
N-methyl-4-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607107
N-cyclopropyl-2,6-difluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106599513
2-[cyclopropyl-(4-ethylphenyl)sulfonylamino]acetic acid
CID 54945155
N-cyclopropyl-2,4-difluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106599610
3-chloro-N-cyclopropyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630056
3-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630030
4-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 104972462

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-ethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-ethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide (CID 106599587) is N-cyclopropyl-4-ethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-ethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-ethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide is CCc1ccc(S(=O)(=O)N(CC2CCCN2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-ethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The InChIKey is HFIZRXNBUIJGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-2-13-5-9-16(10-6-13)21(19,20)18(15-7-8-15)12-14-4-3-11-17-14/h5-6,9-10,14-15,17H,2-4,7-8,11-12H2,1H3.
What are the key properties of N-cyclopropyl-4-ethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
N-cyclopropyl-4-ethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide has a molecular weight of 308.45 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-ethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106599587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).