N-[(4-chlorophenyl)methyl]-2,4,6-trimethylbenzenesulfonamide

C16H18ClNO2S — CID 808141

IUPACN-[(4-chlorophenyl)methyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C16H18ClNO2S/c1-11-8-12(2)16(13(3)9-11)21(19,20)18-10-14-4-6-15(17)7-5-14/h4-9,18H,10H2,1-3H3
InChIKeyPUTRSMPKMBUCRQ-UHFFFAOYSA-N
MW323.85 g/mol
LogP3.74
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-2,4,6-trimethylbenzenesulfonamide

N-[(4-chlorophenyl)methyl]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 808141) has the molecular formula C16H18ClNO2S and a molecular weight of 323.85 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2,4,6-trimethylbenzenesulfonamide
PubChem CID808141
Molecular FormulaC16H18ClNO2S
Molecular Weight323.85 g/mol
Exact Mass323.07
IUPAC NameN-[(4-chlorophenyl)methyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C16H18ClNO2S/c1-11-8-12(2)16(13(3)9-11)21(19,20)18-10-14-4-6-15(17)7-5-14/h4-9,18H,10H2,1-3H3
InChIKeyPUTRSMPKMBUCRQ-UHFFFAOYSA-N
XLogP3.74
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 53.74
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]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2,4,6-trimethylbenzenesulfonamide (CID 808141) is N-[(4-chlorophenyl)methyl]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCc2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is PUTRSMPKMBUCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2S/c1-11-8-12(2)16(13(3)9-11)21(19,20)18-10-14-4-6-15(17)7-5-14/h4-9,18H,10H2,1-3H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-2,4,6-trimethylbenzenesulfonamide?
N-[(4-chlorophenyl)methyl]-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 323.85 g/mol, XLogP of 3.74, 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]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 808141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).