N-(4-chloro-3-methoxyphenyl)-3-(ethylamino)propane-1-sulfonamide

C12H19ClN2O3S — CID 106087751

IUPACN-(4-chloro-3-methoxyphenyl)-3-(ethylamino)propane-1-sulfonamide
SMILESCCNCCCS(=O)(=O)Nc1ccc(Cl)c(OC)c1
InChIInChI=1S/C12H19ClN2O3S/c1-3-14-7-4-8-19(16,17)15-10-5-6-11(13)12(9-10)18-2/h5-6,9,14-15H,3-4,7-8H2,1-2H3
InChIKeyMCVXAFVIRZWXTL-UHFFFAOYSA-N
MW306.82 g/mol
LogP2.09
Rot. Bonds8

About N-(4-chloro-3-methoxyphenyl)-3-(ethylamino)propane-1-sulfonamide

N-(4-chloro-3-methoxyphenyl)-3-(ethylamino)propane-1-sulfonamide (PubChem CID 106087751) has the molecular formula C12H19ClN2O3S and a molecular weight of 306.82 g/mol. Its IUPAC name is N-(4-chloro-3-methoxyphenyl)-3-(ethylamino)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-3-methoxyphenyl)-3-(ethylamino)propane-1-sulfonamide
PubChem CID106087751
Molecular FormulaC12H19ClN2O3S
Molecular Weight306.82 g/mol
Exact Mass306.08
IUPAC NameN-(4-chloro-3-methoxyphenyl)-3-(ethylamino)propane-1-sulfonamide
SMILESCCNCCCS(=O)(=O)Nc1ccc(Cl)c(OC)c1
InChIInChI=1S/C12H19ClN2O3S/c1-3-14-7-4-8-19(16,17)15-10-5-6-11(13)12(9-10)18-2/h5-6,9,14-15H,3-4,7-8H2,1-2H3
InChIKeyMCVXAFVIRZWXTL-UHFFFAOYSA-N
XLogP2.09
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-3-methoxyphenyl)propane-1-sulfonamide
CID 107623369
N-(2,4-dimethoxyphenyl)-3-(ethylamino)propane-1-sulfonamide
CID 106047695
3-(ethylamino)-N-(3-iodo-4-methylphenyl)propane-1-sulfonamide
CID 114258136
N-(3-chloro-4-methoxyphenyl)-4-(methylamino)butane-1-sulfonamide
CID 106047989
N-(3,5-dimethoxyphenyl)-4-(ethylamino)butane-1-sulfonamide
CID 106058751
N-(4-bromo-3-methoxyphenyl)-4-(propylamino)butane-1-sulfonamide
CID 106076643
4-chloro-N-(3,4-dimethoxyphenyl)butane-1-sulfonamide
CID 116814830
N-(4-fluoro-3-methoxyphenyl)-3-(methylamino)propane-1-sulfonamide
CID 106086490
N-(4-bromo-3-fluorophenyl)-3-(ethylamino)propane-1-sulfonamide
CID 106067092
N-(3-bromo-5-methoxyphenyl)-3-(ethylamino)propane-1-sulfonamide
CID 106076725
N-(4-methoxy-3-methylphenyl)-4-(propylamino)butane-1-sulfonamide
CID 106053295
N-(4-tert-butylphenyl)-3-(ethylamino)propane-1-sulfonamide
CID 106057303

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methoxyphenyl)-3-(ethylamino)propane-1-sulfonamide?
The IUPAC name of N-(4-chloro-3-methoxyphenyl)-3-(ethylamino)propane-1-sulfonamide (CID 106087751) is N-(4-chloro-3-methoxyphenyl)-3-(ethylamino)propane-1-sulfonamide.
What is the SMILES notation for N-(4-chloro-3-methoxyphenyl)-3-(ethylamino)propane-1-sulfonamide?
The canonical SMILES for N-(4-chloro-3-methoxyphenyl)-3-(ethylamino)propane-1-sulfonamide is CCNCCCS(=O)(=O)Nc1ccc(Cl)c(OC)c1.
What is the InChIKey of N-(4-chloro-3-methoxyphenyl)-3-(ethylamino)propane-1-sulfonamide?
The InChIKey is MCVXAFVIRZWXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O3S/c1-3-14-7-4-8-19(16,17)15-10-5-6-11(13)12(9-10)18-2/h5-6,9,14-15H,3-4,7-8H2,1-2H3.
What are the key properties of N-(4-chloro-3-methoxyphenyl)-3-(ethylamino)propane-1-sulfonamide?
N-(4-chloro-3-methoxyphenyl)-3-(ethylamino)propane-1-sulfonamide has a molecular weight of 306.82 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methoxyphenyl)-3-(ethylamino)propane-1-sulfonamide is sourced from PubChem (CID 106087751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).