N-[(2-chloro-6-methylphenyl)methyl]-4-propylbenzenesulfonamide

C17H20ClNO2S — CID 5017577

IUPACN-[(2-chloro-6-methylphenyl)methyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCc2c(C)cccc2Cl)cc1
InChIInChI=1S/C17H20ClNO2S/c1-3-5-14-8-10-15(11-9-14)22(20,21)19-12-16-13(2)6-4-7-17(16)18/h4,6-11,19H,3,5,12H2,1-2H3
InChIKeyBOTZVXPTHYBNBB-UHFFFAOYSA-N
MW337.87 g/mol
LogP4.08
Rot. Bonds6

About N-[(2-chloro-6-methylphenyl)methyl]-4-propylbenzenesulfonamide

N-[(2-chloro-6-methylphenyl)methyl]-4-propylbenzenesulfonamide (PubChem CID 5017577) has the molecular formula C17H20ClNO2S and a molecular weight of 337.87 g/mol. Its IUPAC name is N-[(2-chloro-6-methylphenyl)methyl]-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-chloro-6-methylphenyl)methyl]-4-propylbenzenesulfonamide
PubChem CID5017577
Molecular FormulaC17H20ClNO2S
Molecular Weight337.87 g/mol
Exact Mass337.09
IUPAC NameN-[(2-chloro-6-methylphenyl)methyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCc2c(C)cccc2Cl)cc1
InChIInChI=1S/C17H20ClNO2S/c1-3-5-14-8-10-15(11-9-14)22(20,21)19-12-16-13(2)6-4-7-17(16)18/h4,6-11,19H,3,5,12H2,1-2H3
InChIKeyBOTZVXPTHYBNBB-UHFFFAOYSA-N
XLogP4.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.87
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-6-chlorophenyl)-4-propylbenzenesulfonamide
CID 62083735
N-[(2-bromophenyl)methyl]-4-propylbenzenesulfonamide
CID 3772752
N-hydroxy-4-[[(4-propylphenyl)sulfonylamino]methyl]benzamide
CID 87748545
N-(2,6-difluorophenyl)-4-propylbenzenesulfonamide
CID 8500875
4-chloro-N-(4-propylphenyl)benzenesulfonamide
CID 167013208
N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-4-propylbenzenesulfonamide
CID 121121976
N-iodo-4-propylbenzenesulfonamide
CID 143564822
N-[4-[(4-propylphenyl)methylsulfamoyl]phenyl]acetamide
CID 110780438
4-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3792229
N-(2-ethylbutyl)-4-propylbenzenesulfonamide
CID 115613302
4-(3-chloropropyl)-N-(2,6-dimethylphenyl)benzenesulfonamide
CID 52852570
N-[(3-chloro-2-methylphenyl)methyl]-4-methylbenzenesulfonamide
CID 58009712

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methylphenyl)methyl]-4-propylbenzenesulfonamide?
The IUPAC name of N-[(2-chloro-6-methylphenyl)methyl]-4-propylbenzenesulfonamide (CID 5017577) is N-[(2-chloro-6-methylphenyl)methyl]-4-propylbenzenesulfonamide.
What is the SMILES notation for N-[(2-chloro-6-methylphenyl)methyl]-4-propylbenzenesulfonamide?
The canonical SMILES for N-[(2-chloro-6-methylphenyl)methyl]-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)NCc2c(C)cccc2Cl)cc1.
What is the InChIKey of N-[(2-chloro-6-methylphenyl)methyl]-4-propylbenzenesulfonamide?
The InChIKey is BOTZVXPTHYBNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2S/c1-3-5-14-8-10-15(11-9-14)22(20,21)19-12-16-13(2)6-4-7-17(16)18/h4,6-11,19H,3,5,12H2,1-2H3.
What are the key properties of N-[(2-chloro-6-methylphenyl)methyl]-4-propylbenzenesulfonamide?
N-[(2-chloro-6-methylphenyl)methyl]-4-propylbenzenesulfonamide has a molecular weight of 337.87 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methylphenyl)methyl]-4-propylbenzenesulfonamide is sourced from PubChem (CID 5017577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).