2,3-dimethyl-N-propylbenzenesulfonamide

C11H17NO2S — CID 67800223

IUPAC2,3-dimethyl-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1cccc(C)c1C
InChIInChI=1S/C11H17NO2S/c1-4-8-12-15(13,14)11-7-5-6-9(2)10(11)3/h5-7,12H,4,8H2,1-3H3
InChIKeyNEVZNDZAOBAPNN-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.99
Rot. Bonds4

About 2,3-dimethyl-N-propylbenzenesulfonamide

2,3-dimethyl-N-propylbenzenesulfonamide (PubChem CID 67800223) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 2,3-dimethyl-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name2,3-dimethyl-N-propylbenzenesulfonamide
PubChem CID67800223
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name2,3-dimethyl-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1cccc(C)c1C
InChIInChI=1S/C11H17NO2S/c1-4-8-12-15(13,14)11-7-5-6-9(2)10(11)3/h5-7,12H,4,8H2,1-3H3
InChIKeyNEVZNDZAOBAPNN-UHFFFAOYSA-N
XLogP1.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716521
2-amino-6-methyl-N-propylbenzenesulfonamide
CID 43452324
3-bromo-2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716139
2-methoxy-N-propylbenzenesulfonamide
CID 23128752
N-(2-ethylsulfonylethyl)-2-methylbenzenesulfonamide
CID 103721105
2,3-dimethylbenzenesulfonohydrazide
CID 139669307
3-(aminomethyl)-2-methyl-N-pentylbenzenesulfonamide
CID 106058253
N-[2-(ethylamino)ethyl]-3-fluoro-2-methylbenzenesulfonamide;hydrochloride
CID 119973457
2-bromo-N-[2-(ethylamino)ethyl]-3-methylbenzenesulfonamide;hydrochloride
CID 119973473
2,3-dimethyl-N-(piperidin-4-ylmethyl)benzenesulfonamide
CID 71564527
5-acetyl-2-methyl-N-propylbenzenesulfonamide
CID 39357440
N-(3-iodopropyl)-2-methylbenzenesulfonamide
CID 114504608

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-propylbenzenesulfonamide?
The IUPAC name of 2,3-dimethyl-N-propylbenzenesulfonamide (CID 67800223) is 2,3-dimethyl-N-propylbenzenesulfonamide.
What is the SMILES notation for 2,3-dimethyl-N-propylbenzenesulfonamide?
The canonical SMILES for 2,3-dimethyl-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1cccc(C)c1C.
What is the InChIKey of 2,3-dimethyl-N-propylbenzenesulfonamide?
The InChIKey is NEVZNDZAOBAPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-4-8-12-15(13,14)11-7-5-6-9(2)10(11)3/h5-7,12H,4,8H2,1-3H3.
What are the key properties of 2,3-dimethyl-N-propylbenzenesulfonamide?
2,3-dimethyl-N-propylbenzenesulfonamide has a molecular weight of 227.33 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-propylbenzenesulfonamide is sourced from PubChem (CID 67800223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).