N-[(3-chlorophenyl)methyl]-N,2,3,5,6-pentamethylbenzenesulfonamide

C18H22ClNO2S — CID 7937898

IUPACN-[(3-chlorophenyl)methyl]-N,2,3,5,6-pentamethylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N(C)Cc2cccc(Cl)c2)c1C
InChIInChI=1S/C18H22ClNO2S/c1-12-9-13(2)15(4)18(14(12)3)23(21,22)20(5)11-16-7-6-8-17(19)10-16/h6-10H,11H2,1-5H3
InChIKeyRXDUULLZNJZXPT-UHFFFAOYSA-N
MW351.90 g/mol
LogP4.39
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-N,2,3,5,6-pentamethylbenzenesulfonamide

N-[(3-chlorophenyl)methyl]-N,2,3,5,6-pentamethylbenzenesulfonamide (PubChem CID 7937898) has the molecular formula C18H22ClNO2S and a molecular weight of 351.90 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N,2,3,5,6-pentamethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N,2,3,5,6-pentamethylbenzenesulfonamide
PubChem CID7937898
Molecular FormulaC18H22ClNO2S
Molecular Weight351.90 g/mol
Exact Mass351.11
IUPAC NameN-[(3-chlorophenyl)methyl]-N,2,3,5,6-pentamethylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N(C)Cc2cccc(Cl)c2)c1C
InChIInChI=1S/C18H22ClNO2S/c1-12-9-13(2)15(4)18(14(12)3)23(21,22)20(5)11-16-7-6-8-17(19)10-16/h6-10H,11H2,1-5H3
InChIKeyRXDUULLZNJZXPT-UHFFFAOYSA-N
XLogP4.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.90
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chlorophenyl)methyl]-3-hydroxy-N-methylbenzenesulfonamide
CID 81258266
N-[(3-chlorophenyl)methyl]-4-hydrazinyl-N-methylbenzenesulfonamide
CID 61417227
N-[2-(3-chlorophenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 19680910
2-amino-N-[(3-chlorophenyl)methyl]-N-methylpyridine-4-sulfonamide
CID 62158182
2,6-dichloro-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 24679077
N-(furan-2-ylmethyl)-N,2,3,5,6-pentamethylbenzenesulfonamide
CID 7937948
3-amino-N-[(3-chlorophenyl)methyl]-4-hydroxy-N-methylbenzenesulfonamide
CID 61105388
3-chloro-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 4796698
N-[(3-chlorophenyl)methyl]-N-(2-methylphenyl)methanesulfonamide
CID 838647
6-amino-5-chloro-N-[(3-chlorophenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 64602441
4-amino-N-benzyl-2,6-dichloro-N-methylbenzenesulfonamide
CID 43258005
N-benzyl-2,3,5,6-tetramethyl-N-phenylbenzenesulfonamide
CID 22202594

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N,2,3,5,6-pentamethylbenzenesulfonamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N,2,3,5,6-pentamethylbenzenesulfonamide (CID 7937898) is N-[(3-chlorophenyl)methyl]-N,2,3,5,6-pentamethylbenzenesulfonamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N,2,3,5,6-pentamethylbenzenesulfonamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N,2,3,5,6-pentamethylbenzenesulfonamide is Cc1cc(C)c(C)c(S(=O)(=O)N(C)Cc2cccc(Cl)c2)c1C.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N,2,3,5,6-pentamethylbenzenesulfonamide?
The InChIKey is RXDUULLZNJZXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO2S/c1-12-9-13(2)15(4)18(14(12)3)23(21,22)20(5)11-16-7-6-8-17(19)10-16/h6-10H,11H2,1-5H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-N,2,3,5,6-pentamethylbenzenesulfonamide?
N-[(3-chlorophenyl)methyl]-N,2,3,5,6-pentamethylbenzenesulfonamide has a molecular weight of 351.90 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N,2,3,5,6-pentamethylbenzenesulfonamide is sourced from PubChem (CID 7937898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).