N-(cyclopropylmethyl)-4-methyl-N-propylbenzenesulfonamide

C14H21NO2S — CID 23996210

IUPACN-(cyclopropylmethyl)-4-methyl-N-propylbenzenesulfonamide
SMILESCCCN(CC1CC1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H21NO2S/c1-3-10-15(11-13-6-7-13)18(16,17)14-8-4-12(2)5-9-14/h4-5,8-9,13H,3,6-7,10-11H2,1-2H3
InChIKeyMLGNKSDWCLXQKR-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.81
Rot. Bonds6

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

N-(cyclopropylmethyl)-4-methyl-N-propylbenzenesulfonamide (PubChem CID 23996210) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-methyl-N-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-methyl-N-propylbenzenesulfonamide
PubChem CID23996210
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-(cyclopropylmethyl)-4-methyl-N-propylbenzenesulfonamide
SMILESCCCN(CC1CC1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H21NO2S/c1-3-10-15(11-13-6-7-13)18(16,17)14-8-4-12(2)5-9-14/h4-5,8-9,13H,3,6-7,10-11H2,1-2H3
InChIKeyMLGNKSDWCLXQKR-UHFFFAOYSA-N
XLogP2.81
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-4-ethyl-N-propylbenzenesulfonamide
CID 3449691
N-(cyclopropylmethyl)-4-propan-2-yl-N-propylbenzenesulfonamide
CID 55353366
N-(cyclopropylmethyl)-4-pentan-3-yl-N-propylbenzenesulfonamide
CID 146213720
N-ethyl-4-methyl-N-propylbenzenesulfonamide
CID 91734520
4-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide
CID 61440025
3-amino-4-bromo-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide
CID 115328827
N-(2-aminoethyl)-4-methyl-N-propylbenzenesulfonamide
CID 61348592
N-(cyclopropylmethyl)-N-propyl-1H-pyrazole-4-sulfonamide
CID 47267555
N-(cyclopropylmethyl)-2,6-difluoro-N-propylbenzenesulfonamide
CID 78787052
N-(3-aminopropyl)-4-methyl-N-propylbenzenesulfonamide
CID 43136951
sodium 2-[(4-methylphenyl)sulfonyl-propylamino]ethyl sulfate
CID 59872860
4-ethyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
CID 91905703

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-methyl-N-propylbenzenesulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-4-methyl-N-propylbenzenesulfonamide (CID 23996210) is N-(cyclopropylmethyl)-4-methyl-N-propylbenzenesulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-methyl-N-propylbenzenesulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-methyl-N-propylbenzenesulfonamide is CCCN(CC1CC1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-4-methyl-N-propylbenzenesulfonamide?
The InChIKey is MLGNKSDWCLXQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-3-10-15(11-13-6-7-13)18(16,17)14-8-4-12(2)5-9-14/h4-5,8-9,13H,3,6-7,10-11H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-4-methyl-N-propylbenzenesulfonamide?
N-(cyclopropylmethyl)-4-methyl-N-propylbenzenesulfonamide has a molecular weight of 267.39 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-methyl-N-propylbenzenesulfonamide is sourced from PubChem (CID 23996210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).