N-(1-cyclopropylethyl)-2,4-dimethylbenzenesulfonamide

C13H19NO2S — CID 84843581

IUPACN-(1-cyclopropylethyl)-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)C2CC2)c(C)c1
InChIInChI=1S/C13H19NO2S/c1-9-4-7-13(10(2)8-9)17(15,16)14-11(3)12-5-6-12/h4,7-8,11-12,14H,5-6H2,1-3H3
InChIKeyFFIWYRXXUZORCK-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.38
Rot. Bonds4

About N-(1-cyclopropylethyl)-2,4-dimethylbenzenesulfonamide

N-(1-cyclopropylethyl)-2,4-dimethylbenzenesulfonamide (PubChem CID 84843581) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-2,4-dimethylbenzenesulfonamide
PubChem CID84843581
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC NameN-(1-cyclopropylethyl)-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)C2CC2)c(C)c1
InChIInChI=1S/C13H19NO2S/c1-9-4-7-13(10(2)8-9)17(15,16)14-11(3)12-5-6-12/h4,7-8,11-12,14H,5-6H2,1-3H3
InChIKeyFFIWYRXXUZORCK-UHFFFAOYSA-N
XLogP2.38
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N-(1-cyclobutylethyl)-2-methylbenzenesulfonamide
CID 106997153
4-(aminomethyl)-N-(1-cyclohexylethyl)-2-methylbenzenesulfonamide
CID 106996908
N-(1-chloropropan-2-yl)-2,4-dimethylbenzenesulfonamide
CID 65031366
3-(1-cyclopropylethylsulfamoyl)-4-methylbenzoic acid
CID 43401355
4-bromo-2-chloro-N-(1-cyclopropylethyl)benzenesulfonamide
CID 47113577
4-(aminomethyl)-2-bromo-N-(1-cyclopropylethyl)benzenesulfonamide
CID 114134360
N-(1-chloro-3-methylbutan-2-yl)-2,4-dimethylbenzenesulfonamide
CID 79268006
N-(1-cyclopropylethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326719
N-cyclododecyl-2,4-dimethylbenzenesulfonamide
CID 19681945
N-benzhydryl-2,4-dimethylbenzenesulfonamide
CID 19681706
N-[(1S)-1-cyclopropylethyl]-8-methylquinoline-5-sulfonamide
CID 95933685
4-amino-N-(1-cyclopropylethyl)-2-methoxybenzenesulfonamide
CID 43533120

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(1-cyclopropylethyl)-2,4-dimethylbenzenesulfonamide (CID 84843581) is N-(1-cyclopropylethyl)-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(1-cyclopropylethyl)-2,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC(C)C2CC2)c(C)c1.
What is the InChIKey of N-(1-cyclopropylethyl)-2,4-dimethylbenzenesulfonamide?
The InChIKey is FFIWYRXXUZORCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-9-4-7-13(10(2)8-9)17(15,16)14-11(3)12-5-6-12/h4,7-8,11-12,14H,5-6H2,1-3H3.
What are the key properties of N-(1-cyclopropylethyl)-2,4-dimethylbenzenesulfonamide?
N-(1-cyclopropylethyl)-2,4-dimethylbenzenesulfonamide has a molecular weight of 253.37 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 84843581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).