N-(4-methyl-2-propoxyphenyl)propane-1-sulfonamide

C13H21NO3S — CID 61063068

IUPACN-(4-methyl-2-propoxyphenyl)propane-1-sulfonamide
SMILESCCCOc1cc(C)ccc1NS(=O)(=O)CCC
InChIInChI=1S/C13H21NO3S/c1-4-8-17-13-10-11(3)6-7-12(13)14-18(15,16)9-5-2/h6-7,10,14H,4-5,8-9H2,1-3H3
InChIKeyYWHIGYBFMRQPPK-UHFFFAOYSA-N
MW271.38 g/mol
LogP2.94
Rot. Bonds7

About N-(4-methyl-2-propoxyphenyl)propane-1-sulfonamide

N-(4-methyl-2-propoxyphenyl)propane-1-sulfonamide (PubChem CID 61063068) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is N-(4-methyl-2-propoxyphenyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-methyl-2-propoxyphenyl)propane-1-sulfonamide
PubChem CID61063068
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC NameN-(4-methyl-2-propoxyphenyl)propane-1-sulfonamide
SMILESCCCOc1cc(C)ccc1NS(=O)(=O)CCC
InChIInChI=1S/C13H21NO3S/c1-4-8-17-13-10-11(3)6-7-12(13)14-18(15,16)9-5-2/h6-7,10,14H,4-5,8-9H2,1-3H3
InChIKeyYWHIGYBFMRQPPK-UHFFFAOYSA-N
XLogP2.94
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(4-methyl-2-propoxyphenyl)butane-1-sulfonamide
CID 116815843
N-(4-methyl-2-propoxyphenyl)methanesulfonamide
CID 61063067
1-bromo-N-[2-(2-methoxyethoxy)-4-methylphenyl]methanesulfonamide
CID 83085433
N-(4-methyl-2-propoxyphenyl)butanamide
CID 61061572
N-(2-fluoro-5-methylphenyl)propane-1-sulfonamide
CID 60641408
2-methyl-N-(4-methyl-2-propoxyphenyl)propanamide
CID 61062170
N-[2-(2-aminoethoxy)phenyl]propane-1-sulfonamide
CID 43175615
4-methyl-N-(3-propan-2-ylcyclobutyl)-2-propoxyaniline
CID 103561671
N-(3,5-dimethylcyclohexyl)-4-methyl-2-propoxyaniline
CID 64753195
2-methoxy-N-(4-methyl-2-propoxyphenyl)acetamide
CID 61062328
N-(2-ethoxyphenyl)propane-1-sulfonamide
CID 60641405
phenyl N-(4-methyl-2-propoxyphenyl)carbamate
CID 61216988

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-propoxyphenyl)propane-1-sulfonamide?
The IUPAC name of N-(4-methyl-2-propoxyphenyl)propane-1-sulfonamide (CID 61063068) is N-(4-methyl-2-propoxyphenyl)propane-1-sulfonamide.
What is the SMILES notation for N-(4-methyl-2-propoxyphenyl)propane-1-sulfonamide?
The canonical SMILES for N-(4-methyl-2-propoxyphenyl)propane-1-sulfonamide is CCCOc1cc(C)ccc1NS(=O)(=O)CCC.
What is the InChIKey of N-(4-methyl-2-propoxyphenyl)propane-1-sulfonamide?
The InChIKey is YWHIGYBFMRQPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-4-8-17-13-10-11(3)6-7-12(13)14-18(15,16)9-5-2/h6-7,10,14H,4-5,8-9H2,1-3H3.
What are the key properties of N-(4-methyl-2-propoxyphenyl)propane-1-sulfonamide?
N-(4-methyl-2-propoxyphenyl)propane-1-sulfonamide has a molecular weight of 271.38 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-propoxyphenyl)propane-1-sulfonamide is sourced from PubChem (CID 61063068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).