N-[(4-chlorophenyl)methyl]propane-2-sulfonamide

C10H14ClNO2S — CID 47371211

IUPACN-[(4-chlorophenyl)methyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C10H14ClNO2S/c1-8(2)15(13,14)12-7-9-3-5-10(11)6-4-9/h3-6,8,12H,7H2,1-2H3
InChIKeyOEVHMSWDHOHVAI-UHFFFAOYSA-N
MW247.75 g/mol
LogP2.17
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]propane-2-sulfonamide

N-[(4-chlorophenyl)methyl]propane-2-sulfonamide (PubChem CID 47371211) has the molecular formula C10H14ClNO2S and a molecular weight of 247.75 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]propane-2-sulfonamide
PubChem CID47371211
Molecular FormulaC10H14ClNO2S
Molecular Weight247.75 g/mol
Exact Mass247.04
IUPAC NameN-[(4-chlorophenyl)methyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C10H14ClNO2S/c1-8(2)15(13,14)12-7-9-3-5-10(11)6-4-9/h3-6,8,12H,7H2,1-2H3
InChIKeyOEVHMSWDHOHVAI-UHFFFAOYSA-N
XLogP2.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-2-sulfonamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]propane-2-sulfonamide (CID 47371211) is N-[(4-chlorophenyl)methyl]propane-2-sulfonamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]propane-2-sulfonamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]propane-2-sulfonamide?
The InChIKey is OEVHMSWDHOHVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2S/c1-8(2)15(13,14)12-7-9-3-5-10(11)6-4-9/h3-6,8,12H,7H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]propane-2-sulfonamide?
N-[(4-chlorophenyl)methyl]propane-2-sulfonamide has a molecular weight of 247.75 g/mol, XLogP of 2.17, 4 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-2-sulfonamide is sourced from PubChem (CID 47371211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).