N-(3-chloro-4-ethoxyphenyl)propane-1-sulfonamide

C11H16ClNO3S — CID 61062480

IUPACN-(3-chloro-4-ethoxyphenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(OCC)c(Cl)c1
InChIInChI=1S/C11H16ClNO3S/c1-3-7-17(14,15)13-9-5-6-11(16-4-2)10(12)8-9/h5-6,8,13H,3-4,7H2,1-2H3
InChIKeyGGFBPFWIYYOZFB-UHFFFAOYSA-N
MW277.77 g/mol
LogP2.89
Rot. Bonds6

About N-(3-chloro-4-ethoxyphenyl)propane-1-sulfonamide

N-(3-chloro-4-ethoxyphenyl)propane-1-sulfonamide (PubChem CID 61062480) has the molecular formula C11H16ClNO3S and a molecular weight of 277.77 g/mol. Its IUPAC name is N-(3-chloro-4-ethoxyphenyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-ethoxyphenyl)propane-1-sulfonamide
PubChem CID61062480
Molecular FormulaC11H16ClNO3S
Molecular Weight277.77 g/mol
Exact Mass277.05
IUPAC NameN-(3-chloro-4-ethoxyphenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(OCC)c(Cl)c1
InChIInChI=1S/C11H16ClNO3S/c1-3-7-17(14,15)13-9-5-6-11(16-4-2)10(12)8-9/h5-6,8,13H,3-4,7H2,1-2H3
InChIKeyGGFBPFWIYYOZFB-UHFFFAOYSA-N
XLogP2.89
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chloro-4-ethoxyphenyl)sulfamoyl]acetic acid
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N-[2-(3-chloro-4-ethoxyphenyl)ethyl]propane-1-sulfonamide
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2-chloro-N-(3-chloro-4-ethoxyphenyl)pyridine-4-sulfonamide
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2-amino-N-(3-chloro-4-ethoxyphenyl)benzenesulfonamide
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5-bromo-4-chloro-N-(3-chloro-4-ethoxyphenyl)thiophene-2-sulfonamide
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N-[4-(3-chloro-4-methoxybenzoyl)phenyl]propane-1-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-ethoxyphenyl)propane-1-sulfonamide?
The IUPAC name of N-(3-chloro-4-ethoxyphenyl)propane-1-sulfonamide (CID 61062480) is N-(3-chloro-4-ethoxyphenyl)propane-1-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-ethoxyphenyl)propane-1-sulfonamide?
The canonical SMILES for N-(3-chloro-4-ethoxyphenyl)propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(OCC)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-ethoxyphenyl)propane-1-sulfonamide?
The InChIKey is GGFBPFWIYYOZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO3S/c1-3-7-17(14,15)13-9-5-6-11(16-4-2)10(12)8-9/h5-6,8,13H,3-4,7H2,1-2H3.
What are the key properties of N-(3-chloro-4-ethoxyphenyl)propane-1-sulfonamide?
N-(3-chloro-4-ethoxyphenyl)propane-1-sulfonamide has a molecular weight of 277.77 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-ethoxyphenyl)propane-1-sulfonamide is sourced from PubChem (CID 61062480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).