3-chloro-N-(2-methoxyphenyl)propane-1-sulfonamide

C10H14ClNO3S — CID 43653977

IUPAC3-chloro-N-(2-methoxyphenyl)propane-1-sulfonamide
SMILESCOc1ccccc1NS(=O)(=O)CCCCl
InChIInChI=1S/C10H14ClNO3S/c1-15-10-6-3-2-5-9(10)12-16(13,14)8-4-7-11/h2-3,5-6,12H,4,7-8H2,1H3
InChIKeyXYIPXYXDMBBXFM-UHFFFAOYSA-N
MW263.75 g/mol
LogP2.07
Rot. Bonds6

About 3-chloro-N-(2-methoxyphenyl)propane-1-sulfonamide

3-chloro-N-(2-methoxyphenyl)propane-1-sulfonamide (PubChem CID 43653977) has the molecular formula C10H14ClNO3S and a molecular weight of 263.75 g/mol. Its IUPAC name is 3-chloro-N-(2-methoxyphenyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2-methoxyphenyl)propane-1-sulfonamide
PubChem CID43653977
Molecular FormulaC10H14ClNO3S
Molecular Weight263.75 g/mol
Exact Mass263.04
IUPAC Name3-chloro-N-(2-methoxyphenyl)propane-1-sulfonamide
SMILESCOc1ccccc1NS(=O)(=O)CCCCl
InChIInChI=1S/C10H14ClNO3S/c1-15-10-6-3-2-5-9(10)12-16(13,14)8-4-7-11/h2-3,5-6,12H,4,7-8H2,1H3
InChIKeyXYIPXYXDMBBXFM-UHFFFAOYSA-N
XLogP2.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[2-(difluoromethoxy)phenyl]propane-1-sulfonamide
CID 43654163
3-chloro-N-(2-methylsulfonylphenyl)propane-1-sulfonamide
CID 43654272
3-chloro-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]propane-1-sulfonamide
CID 60959328
N-(2-ethoxyphenyl)propane-1-sulfonamide
CID 60641405
4-chloro-N-[2-(dimethylamino)phenyl]butane-1-sulfonamide
CID 116815712
3-chloro-N-(2,4-dimethylphenyl)propane-1-sulfonamide
CID 43654466
4-chloro-N-(3,4-dimethoxyphenyl)butane-1-sulfonamide
CID 116814830
2-chloro-N-[1-(2-methoxyphenyl)ethyl]ethanesulfonamide
CID 107650835
3-(3-chloropropylsulfonylamino)-2-methylbenzoic acid
CID 54877288
3-chloro-N-(2-piperidin-1-ylphenyl)propane-1-sulfonamide
CID 43654348
N-[2-(2-aminoethoxy)phenyl]propane-1-sulfonamide
CID 43175615
1-chloro-N-[2-(2-methylpropoxy)phenyl]methanesulfonamide
CID 63664348

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-methoxyphenyl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-(2-methoxyphenyl)propane-1-sulfonamide (CID 43653977) is 3-chloro-N-(2-methoxyphenyl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-(2-methoxyphenyl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-(2-methoxyphenyl)propane-1-sulfonamide is COc1ccccc1NS(=O)(=O)CCCCl.
What is the InChIKey of 3-chloro-N-(2-methoxyphenyl)propane-1-sulfonamide?
The InChIKey is XYIPXYXDMBBXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO3S/c1-15-10-6-3-2-5-9(10)12-16(13,14)8-4-7-11/h2-3,5-6,12H,4,7-8H2,1H3.
What are the key properties of 3-chloro-N-(2-methoxyphenyl)propane-1-sulfonamide?
3-chloro-N-(2-methoxyphenyl)propane-1-sulfonamide has a molecular weight of 263.75 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-methoxyphenyl)propane-1-sulfonamide is sourced from PubChem (CID 43653977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).