N-[(2-chlorophenyl)methyl]-N-methyl-2-methylsulfonylbenzenesulfonamide

C15H16ClNO4S2 — CID 31534305

IUPACN-[(2-chlorophenyl)methyl]-N-methyl-2-methylsulfonylbenzenesulfonamide
SMILESCN(Cc1ccccc1Cl)S(=O)(=O)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C15H16ClNO4S2/c1-17(11-12-7-3-4-8-13(12)16)23(20,21)15-10-6-5-9-14(15)22(2,18)19/h3-10H,11H2,1-2H3
InChIKeyXJLBXCXDULUKNK-UHFFFAOYSA-N
MW373.88 g/mol
LogP2.56
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-N-methyl-2-methylsulfonylbenzenesulfonamide

N-[(2-chlorophenyl)methyl]-N-methyl-2-methylsulfonylbenzenesulfonamide (PubChem CID 31534305) has the molecular formula C15H16ClNO4S2 and a molecular weight of 373.88 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-methyl-2-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-methyl-2-methylsulfonylbenzenesulfonamide
PubChem CID31534305
Molecular FormulaC15H16ClNO4S2
Molecular Weight373.88 g/mol
Exact Mass373.02
IUPAC NameN-[(2-chlorophenyl)methyl]-N-methyl-2-methylsulfonylbenzenesulfonamide
SMILESCN(Cc1ccccc1Cl)S(=O)(=O)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C15H16ClNO4S2/c1-17(11-12-7-3-4-8-13(12)16)23(20,21)15-10-6-5-9-14(15)22(2,18)19/h3-10H,11H2,1-2H3
InChIKeyXJLBXCXDULUKNK-UHFFFAOYSA-N
XLogP2.56
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorobenzyl)-N-methylbenzene-1,4-disulfonamide
CID 17414308
N-benzyl-N-methyl-4-(methylthio)benzenesulfonamide
CID 967344
N-(2-chlorobenzyl)-4-(methylthio)benzenesulfonamide
CID 2226285
N-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)-4-(4-methylsulfonylphenyl)benzenesulfonamide
CID 76282732
N-(4-chlorobenzyl)-4-(methylthio)benzenesulfonamide
CID 973513
2-(2-Chlorophenyl)-3-(4-fluorobenzenesulfonyl)-1,3-thiazolidine
CID 4227891
N-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)-4-(4-methylsulfonylphenyl)benzenesulfonamide
CID 90207979
N-[(3-chlorophenyl)methyl]-N-methyl-2-methylsulfonylbenzenesulfonamide
CID 31534360
N,N-dibenzyl-2-methylsulfonylbenzenesulfonamide
CID 162646148
N-benzyl-4-chloro-N-ethylbenzenesulfonamide
CID 668960
1-[(4-Chlorophenyl)sulfonyl]-4-[4-(methylsulfanyl)benzyl]piperazine
CID 1122530
3-(4-Chlorobenzenesulfonyl)-2-phenyl-1,3-thiazolidine
CID 2847618

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-methyl-2-methylsulfonylbenzenesulfonamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-methyl-2-methylsulfonylbenzenesulfonamide (CID 31534305) is N-[(2-chlorophenyl)methyl]-N-methyl-2-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-methyl-2-methylsulfonylbenzenesulfonamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-methyl-2-methylsulfonylbenzenesulfonamide is CN(Cc1ccccc1Cl)S(=O)(=O)c1ccccc1S(C)(=O)=O.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-methyl-2-methylsulfonylbenzenesulfonamide?
The InChIKey is XJLBXCXDULUKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO4S2/c1-17(11-12-7-3-4-8-13(12)16)23(20,21)15-10-6-5-9-14(15)22(2,18)19/h3-10H,11H2,1-2H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-N-methyl-2-methylsulfonylbenzenesulfonamide?
N-[(2-chlorophenyl)methyl]-N-methyl-2-methylsulfonylbenzenesulfonamide has a molecular weight of 373.88 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-methyl-2-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 31534305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).