N-[(3-chlorophenyl)methyl]propane-1-sulfonamide

C10H14ClNO2S — CID 47105679

IUPACN-[(3-chlorophenyl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C10H14ClNO2S/c1-2-6-15(13,14)12-8-9-4-3-5-10(11)7-9/h3-5,7,12H,2,6,8H2,1H3
InChIKeyUXXXSURAUMRGBU-UHFFFAOYSA-N
MW247.75 g/mol
LogP2.17
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]propane-1-sulfonamide

N-[(3-chlorophenyl)methyl]propane-1-sulfonamide (PubChem CID 47105679) has the molecular formula C10H14ClNO2S and a molecular weight of 247.75 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]propane-1-sulfonamide
PubChem CID47105679
Molecular FormulaC10H14ClNO2S
Molecular Weight247.75 g/mol
Exact Mass247.04
IUPAC NameN-[(3-chlorophenyl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C10H14ClNO2S/c1-2-6-15(13,14)12-8-9-4-3-5-10(11)7-9/h3-5,7,12H,2,6,8H2,1H3
InChIKeyUXXXSURAUMRGBU-UHFFFAOYSA-N
XLogP2.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-(methylamino)ethanesulfonamide
CID 62531388
N-[(3-chlorophenyl)methyl]-2-hydroxyethanesulfonamide
CID 79579372
N-[4-(3-chlorophenyl)butyl]propane-1-sulfonamide
CID 110601627
N-[(3-chlorophenyl)methyl]-2-pyridin-2-ylethanesulfonamide
CID 25042955
N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]propane-1-sulfonamide
CID 51107732
N-[(3-chlorophenyl)methyl]-2-piperidin-2-ylethanesulfonamide
CID 62532081
1-[2-(benzylsulfamoyl)ethyl]-2-[(3-chlorophenyl)methyl]-3-ethylguanidine;hydroiodide
CID 111176667
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125
N-[(3-chlorophenyl)methyl]-4-(methylamino)benzenesulfonamide
CID 62533780
2-[(3-chlorophenyl)methylamino]ethanesulfonic acid
CID 18439273
2-chloro-N-[(3-ethoxyphenyl)methyl]ethanesulfonamide
CID 107650948
N-[(3-chlorophenyl)methyl]pyrrolidine-1-sulfonamide
CID 127505072

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]propane-1-sulfonamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]propane-1-sulfonamide (CID 47105679) is N-[(3-chlorophenyl)methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]propane-1-sulfonamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]propane-1-sulfonamide is CCCS(=O)(=O)NCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]propane-1-sulfonamide?
The InChIKey is UXXXSURAUMRGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2S/c1-2-6-15(13,14)12-8-9-4-3-5-10(11)7-9/h3-5,7,12H,2,6,8H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methyl]propane-1-sulfonamide?
N-[(3-chlorophenyl)methyl]propane-1-sulfonamide has a molecular weight of 247.75 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 47105679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).