N-[(3-chlorophenyl)methyl]-4-methylbenzenesulfonamide

C14H14ClNO2S — CID 2117580

IUPACN-[(3-chlorophenyl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2cccc(Cl)c2)cc1
InChIInChI=1S/C14H14ClNO2S/c1-11-5-7-14(8-6-11)19(17,18)16-10-12-3-2-4-13(15)9-12/h2-9,16H,10H2,1H3
InChIKeyJDQOMCWXZNDJNQ-UHFFFAOYSA-N
MW295.79 g/mol
LogP3.13
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-4-methylbenzenesulfonamide

N-[(3-chlorophenyl)methyl]-4-methylbenzenesulfonamide (PubChem CID 2117580) has the molecular formula C14H14ClNO2S and a molecular weight of 295.79 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-4-methylbenzenesulfonamide
PubChem CID2117580
Molecular FormulaC14H14ClNO2S
Molecular Weight295.79 g/mol
Exact Mass295.04
IUPAC NameN-[(3-chlorophenyl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2cccc(Cl)c2)cc1
InChIInChI=1S/C14H14ClNO2S/c1-11-5-7-14(8-6-11)19(17,18)16-10-12-3-2-4-13(15)9-12/h2-9,16H,10H2,1H3
InChIKeyJDQOMCWXZNDJNQ-UHFFFAOYSA-N
XLogP3.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-4-methylbenzenesulfonamide (CID 2117580) is N-[(3-chlorophenyl)methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2cccc(Cl)c2)cc1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-4-methylbenzenesulfonamide?
The InChIKey is JDQOMCWXZNDJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S/c1-11-5-7-14(8-6-11)19(17,18)16-10-12-3-2-4-13(15)9-12/h2-9,16H,10H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-4-methylbenzenesulfonamide?
N-[(3-chlorophenyl)methyl]-4-methylbenzenesulfonamide has a molecular weight of 295.79 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 2117580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).