N-(2,5-dimethoxyphenyl)-1-(propylamino)propane-2-sulfonamide

C14H24N2O4S — CID 106058883

IUPACN-(2,5-dimethoxyphenyl)-1-(propylamino)propane-2-sulfonamide
SMILESCCCNCC(C)S(=O)(=O)Nc1cc(OC)ccc1OC
InChIInChI=1S/C14H24N2O4S/c1-5-8-15-10-11(2)21(17,18)16-13-9-12(19-3)6-7-14(13)20-4/h6-7,9,11,15-16H,5,8,10H2,1-4H3
InChIKeyVTDRUNNBKOQPJB-UHFFFAOYSA-N
MW316.42 g/mol
LogP1.83
Rot. Bonds9

About N-(2,5-dimethoxyphenyl)-1-(propylamino)propane-2-sulfonamide

N-(2,5-dimethoxyphenyl)-1-(propylamino)propane-2-sulfonamide (PubChem CID 106058883) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-1-(propylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-1-(propylamino)propane-2-sulfonamide
PubChem CID106058883
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC NameN-(2,5-dimethoxyphenyl)-1-(propylamino)propane-2-sulfonamide
SMILESCCCNCC(C)S(=O)(=O)Nc1cc(OC)ccc1OC
InChIInChI=1S/C14H24N2O4S/c1-5-8-15-10-11(2)21(17,18)16-13-9-12(19-3)6-7-14(13)20-4/h6-7,9,11,15-16H,5,8,10H2,1-4H3
InChIKeyVTDRUNNBKOQPJB-UHFFFAOYSA-N
XLogP1.83
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)propane-2-sulfonamide
CID 106058868
N-(4-bromo-3-methoxyphenyl)-1-(propylamino)propane-2-sulfonamide
CID 106076653
N-(2,5-dimethoxyphenyl)propane-1-sulfonamide
CID 60640726
N-(2-bromo-5-methoxyphenyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106067184
1-(propylamino)-N-(2,4,5-trifluorophenyl)propane-2-sulfonamide
CID 106056088
N-[2-(difluoromethoxy)phenyl]-1-(propylamino)propane-2-sulfonamide
CID 106030472
N-(5-bromo-2-chlorophenyl)-1-(propylamino)propane-2-sulfonamide
CID 106056724
1-chloro-N-(2,5-dimethoxyphenyl)methanesulfonamide
CID 63665098
N-(4-ethylphenyl)-1-(propylamino)propane-2-sulfonamide
CID 107278431
N-(2,5-dimethoxyphenyl)-3,5-dimethoxybenzenesulfonamide
CID 24989180
1-(cyclopropylamino)-N-(4-methoxy-2-methylphenyl)propane-2-sulfonamide
CID 106056014
N-[1-(2,5-dimethoxyphenyl)-2-methylsulfonylethyl]propan-1-amine
CID 62785327

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-1-(propylamino)propane-2-sulfonamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-1-(propylamino)propane-2-sulfonamide (CID 106058883) is N-(2,5-dimethoxyphenyl)-1-(propylamino)propane-2-sulfonamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-1-(propylamino)propane-2-sulfonamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-1-(propylamino)propane-2-sulfonamide is CCCNCC(C)S(=O)(=O)Nc1cc(OC)ccc1OC.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-1-(propylamino)propane-2-sulfonamide?
The InChIKey is VTDRUNNBKOQPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-5-8-15-10-11(2)21(17,18)16-13-9-12(19-3)6-7-14(13)20-4/h6-7,9,11,15-16H,5,8,10H2,1-4H3.
What are the key properties of N-(2,5-dimethoxyphenyl)-1-(propylamino)propane-2-sulfonamide?
N-(2,5-dimethoxyphenyl)-1-(propylamino)propane-2-sulfonamide has a molecular weight of 316.42 g/mol, XLogP of 1.83, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-1-(propylamino)propane-2-sulfonamide is sourced from PubChem (CID 106058883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).