N-[(4-chlorophenyl)methyl]propane-1-sulfonamide

C10H14ClNO2S — CID 47105737

IUPACN-[(4-chlorophenyl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C10H14ClNO2S/c1-2-7-15(13,14)12-8-9-3-5-10(11)6-4-9/h3-6,12H,2,7-8H2,1H3
InChIKeyXDNPLXAYFSZILE-UHFFFAOYSA-N
MW247.75 g/mol
LogP2.17
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]propane-1-sulfonamide

N-[(4-chlorophenyl)methyl]propane-1-sulfonamide (PubChem CID 47105737) has the molecular formula C10H14ClNO2S and a molecular weight of 247.75 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]propane-1-sulfonamide
PubChem CID47105737
Molecular FormulaC10H14ClNO2S
Molecular Weight247.75 g/mol
Exact Mass247.04
IUPAC NameN-[(4-chlorophenyl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C10H14ClNO2S/c1-2-7-15(13,14)12-8-9-3-5-10(11)6-4-9/h3-6,12H,2,7-8H2,1H3
InChIKeyXDNPLXAYFSZILE-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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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]propane-1-sulfonamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]propane-1-sulfonamide (CID 47105737) is N-[(4-chlorophenyl)methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]propane-1-sulfonamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]propane-1-sulfonamide is CCCS(=O)(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]propane-1-sulfonamide?
The InChIKey is XDNPLXAYFSZILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2S/c1-2-7-15(13,14)12-8-9-3-5-10(11)6-4-9/h3-6,12H,2,7-8H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]propane-1-sulfonamide?
N-[(4-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-[(4-chlorophenyl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 47105737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).