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

C14H14ClNO2S — CID 854999

IUPACN-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H14ClNO2S/c1-11-2-8-14(9-3-11)19(17,18)16-10-12-4-6-13(15)7-5-12/h2-9,16H,10H2,1H3
InChIKeyPHQACFAMACBZPD-UHFFFAOYSA-N
MW295.79 g/mol
LogP3.13
Rot. Bonds4

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

N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide (PubChem CID 854999) has the molecular formula C14H14ClNO2S and a molecular weight of 295.79 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide
PubChem CID854999
Molecular FormulaC14H14ClNO2S
Molecular Weight295.79 g/mol
Exact Mass295.04
IUPAC NameN-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H14ClNO2S/c1-11-2-8-14(9-3-11)19(17,18)16-10-12-4-6-13(15)7-5-12/h2-9,16H,10H2,1H3
InChIKeyPHQACFAMACBZPD-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-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide (CID 854999) is N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide?
The InChIKey is PHQACFAMACBZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S/c1-11-2-8-14(9-3-11)19(17,18)16-10-12-4-6-13(15)7-5-12/h2-9,16H,10H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide?
N-[(4-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-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 854999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).