4-methoxy-N,2,5-trimethyl-N-propylbenzenesulfonamide

C13H21NO3S — CID 7574310

IUPAC4-methoxy-N,2,5-trimethyl-N-propylbenzenesulfonamide
SMILESCCCN(C)S(=O)(=O)c1cc(C)c(OC)cc1C
InChIInChI=1S/C13H21NO3S/c1-6-7-14(4)18(15,16)13-9-10(2)12(17-5)8-11(13)3/h8-9H,6-7H2,1-5H3
InChIKeyWOUJOGUGIDMFIX-UHFFFAOYSA-N
MW271.38 g/mol
LogP2.34
Rot. Bonds5

About 4-methoxy-N,2,5-trimethyl-N-propylbenzenesulfonamide

4-methoxy-N,2,5-trimethyl-N-propylbenzenesulfonamide (PubChem CID 7574310) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is 4-methoxy-N,2,5-trimethyl-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N,2,5-trimethyl-N-propylbenzenesulfonamide
PubChem CID7574310
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name4-methoxy-N,2,5-trimethyl-N-propylbenzenesulfonamide
SMILESCCCN(C)S(=O)(=O)c1cc(C)c(OC)cc1C
InChIInChI=1S/C13H21NO3S/c1-6-7-14(4)18(15,16)13-9-10(2)12(17-5)8-11(13)3/h8-9H,6-7H2,1-5H3
InChIKeyWOUJOGUGIDMFIX-UHFFFAOYSA-N
XLogP2.34
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-4-methoxy-N,2,5-trimethylbenzenesulfonamide
CID 28707568
4-methoxy-N,2,5-trimethyl-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 110753463
N-(2-aminoethyl)-4,5-dimethoxy-N,2-dimethylbenzenesulfonamide
CID 55104084
N-(1-aminopropan-2-yl)-4-methoxy-N,2,5-trimethylbenzenesulfonamide
CID 119982633
N-cyclopropyl-4-methoxy-N,2,5-trimethylbenzenesulfonamide
CID 47304826
N,N-diethyl-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 2284278
4-methoxy-2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119976561
3-[(5-chloro-4-methoxy-2-methylphenyl)sulfonyl-methylamino]propanoic acid
CID 120606496
N,N-diethyl-4,5-dimethoxy-2-methylbenzenesulfonamide
CID 60744825
2-methoxy-N,N,4,5-tetramethylbenzenesulfonamide
CID 6471319
4-methoxy-N,2,5-trimethyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 110710600
(4-methoxy-2,5-dimethylphenyl)sulfonylformonitrile
CID 117036989

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,2,5-trimethyl-N-propylbenzenesulfonamide?
The IUPAC name of 4-methoxy-N,2,5-trimethyl-N-propylbenzenesulfonamide (CID 7574310) is 4-methoxy-N,2,5-trimethyl-N-propylbenzenesulfonamide.
What is the SMILES notation for 4-methoxy-N,2,5-trimethyl-N-propylbenzenesulfonamide?
The canonical SMILES for 4-methoxy-N,2,5-trimethyl-N-propylbenzenesulfonamide is CCCN(C)S(=O)(=O)c1cc(C)c(OC)cc1C.
What is the InChIKey of 4-methoxy-N,2,5-trimethyl-N-propylbenzenesulfonamide?
The InChIKey is WOUJOGUGIDMFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-6-7-14(4)18(15,16)13-9-10(2)12(17-5)8-11(13)3/h8-9H,6-7H2,1-5H3.
What are the key properties of 4-methoxy-N,2,5-trimethyl-N-propylbenzenesulfonamide?
4-methoxy-N,2,5-trimethyl-N-propylbenzenesulfonamide has a molecular weight of 271.38 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,2,5-trimethyl-N-propylbenzenesulfonamide is sourced from PubChem (CID 7574310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).