N-(cyclopropylmethyl)-4-ethyl-N-propylbenzenesulfonamide

C15H23NO2S — CID 3449691

IUPACN-(cyclopropylmethyl)-4-ethyl-N-propylbenzenesulfonamide
SMILESCCCN(CC1CC1)S(=O)(=O)c1ccc(CC)cc1
InChIInChI=1S/C15H23NO2S/c1-3-11-16(12-14-5-6-14)19(17,18)15-9-7-13(4-2)8-10-15/h7-10,14H,3-6,11-12H2,1-2H3
InChIKeyAZYQYAKBFGHZOV-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.06
Rot. Bonds7

About N-(cyclopropylmethyl)-4-ethyl-N-propylbenzenesulfonamide

N-(cyclopropylmethyl)-4-ethyl-N-propylbenzenesulfonamide (PubChem CID 3449691) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-ethyl-N-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-ethyl-N-propylbenzenesulfonamide
PubChem CID3449691
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC NameN-(cyclopropylmethyl)-4-ethyl-N-propylbenzenesulfonamide
SMILESCCCN(CC1CC1)S(=O)(=O)c1ccc(CC)cc1
InChIInChI=1S/C15H23NO2S/c1-3-11-16(12-14-5-6-14)19(17,18)15-9-7-13(4-2)8-10-15/h7-10,14H,3-6,11-12H2,1-2H3
InChIKeyAZYQYAKBFGHZOV-UHFFFAOYSA-N
XLogP3.06
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-4-methyl-N-propylbenzenesulfonamide
CID 23996210
4-ethyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
CID 91905703
N-(cyclopropylmethyl)-4-propan-2-yl-N-propylbenzenesulfonamide
CID 55353366
N-(cyclopropylmethyl)-4-pentan-3-yl-N-propylbenzenesulfonamide
CID 146213720
4-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide
CID 61440025
3-amino-4-bromo-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide
CID 115328827
N-(cyclopropylmethyl)-N-propyl-1H-pyrazole-4-sulfonamide
CID 47267555
2-[cyclopropylmethyl-(4-propylphenyl)sulfonylamino]acetic acid
CID 43656275
N-(cyclopropylmethyl)-2,6-difluoro-N-propylbenzenesulfonamide
CID 78787052
2-bromo-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide
CID 6734789
4-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzenesulfonamide
CID 106631281
2-[4-[cyclopropylmethyl(ethyl)sulfamoyl]phenyl]ethanethioamide
CID 79195550

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-ethyl-N-propylbenzenesulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-4-ethyl-N-propylbenzenesulfonamide (CID 3449691) is N-(cyclopropylmethyl)-4-ethyl-N-propylbenzenesulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-ethyl-N-propylbenzenesulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-ethyl-N-propylbenzenesulfonamide is CCCN(CC1CC1)S(=O)(=O)c1ccc(CC)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-4-ethyl-N-propylbenzenesulfonamide?
The InChIKey is AZYQYAKBFGHZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-3-11-16(12-14-5-6-14)19(17,18)15-9-7-13(4-2)8-10-15/h7-10,14H,3-6,11-12H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-4-ethyl-N-propylbenzenesulfonamide?
N-(cyclopropylmethyl)-4-ethyl-N-propylbenzenesulfonamide has a molecular weight of 281.42 g/mol, XLogP of 3.06, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-ethyl-N-propylbenzenesulfonamide is sourced from PubChem (CID 3449691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).