N-(4-ethoxy-3-methoxyphenyl)propane-2-sulfonamide

C12H19NO4S — CID 62997998

IUPACN-(4-ethoxy-3-methoxyphenyl)propane-2-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)C(C)C)cc1OC
InChIInChI=1S/C12H19NO4S/c1-5-17-11-7-6-10(8-12(11)16-4)13-18(14,15)9(2)3/h6-9,13H,5H2,1-4H3
InChIKeyPWLGOSNDQWUPQQ-UHFFFAOYSA-N
MW273.35 g/mol
LogP2.24
Rot. Bonds6

About N-(4-ethoxy-3-methoxyphenyl)propane-2-sulfonamide

N-(4-ethoxy-3-methoxyphenyl)propane-2-sulfonamide (PubChem CID 62997998) has the molecular formula C12H19NO4S and a molecular weight of 273.35 g/mol. Its IUPAC name is N-(4-ethoxy-3-methoxyphenyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-methoxyphenyl)propane-2-sulfonamide
PubChem CID62997998
Molecular FormulaC12H19NO4S
Molecular Weight273.35 g/mol
Exact Mass273.10
IUPAC NameN-(4-ethoxy-3-methoxyphenyl)propane-2-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)C(C)C)cc1OC
InChIInChI=1S/C12H19NO4S/c1-5-17-11-7-6-10(8-12(11)16-4)13-18(14,15)9(2)3/h6-9,13H,5H2,1-4H3
InChIKeyPWLGOSNDQWUPQQ-UHFFFAOYSA-N
XLogP2.24
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(4-ethoxy-3-methoxyphenyl)ethanesulfonamide
CID 107650750
4-ethoxy-3-methoxy-N-methylaniline
CID 63089329
1,2-diethoxy-4-(sulfamoylamino)benzene
CID 112573189
3-ethoxy-4-methoxy-N-(1-methylsulfonylpropan-2-yl)aniline
CID 64629532
N-(4-ethoxy-3-methoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 60917021
4-ethoxy-3-methoxy-N-(2-methylpentan-3-yl)aniline
CID 43785298
4-ethoxy-3-methoxy-N-(1-methoxypropan-2-yl)aniline
CID 62536992
2-chloro-N-(4-ethoxy-3-methoxyphenyl)propanamide
CID 43346919
N-[5-(3,4-diethoxyanilino)pentyl]propane-2-sulfonamide
CID 59549730
4-ethoxy-3-methoxy-N-pentylaniline
CID 43229052
N-[3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propane-2-sulfonamide
CID 139592579
1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-methoxyphenyl)propane-2-sulfonamide?
The IUPAC name of N-(4-ethoxy-3-methoxyphenyl)propane-2-sulfonamide (CID 62997998) is N-(4-ethoxy-3-methoxyphenyl)propane-2-sulfonamide.
What is the SMILES notation for N-(4-ethoxy-3-methoxyphenyl)propane-2-sulfonamide?
The canonical SMILES for N-(4-ethoxy-3-methoxyphenyl)propane-2-sulfonamide is CCOc1ccc(NS(=O)(=O)C(C)C)cc1OC.
What is the InChIKey of N-(4-ethoxy-3-methoxyphenyl)propane-2-sulfonamide?
The InChIKey is PWLGOSNDQWUPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4S/c1-5-17-11-7-6-10(8-12(11)16-4)13-18(14,15)9(2)3/h6-9,13H,5H2,1-4H3.
What are the key properties of N-(4-ethoxy-3-methoxyphenyl)propane-2-sulfonamide?
N-(4-ethoxy-3-methoxyphenyl)propane-2-sulfonamide has a molecular weight of 273.35 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-methoxyphenyl)propane-2-sulfonamide is sourced from PubChem (CID 62997998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).