1-[(4-chlorophenyl)methylsulfanyl]-N,N-dimethylmethanesulfonamide

C10H14ClNO2S2 — CID 124927946

IUPAC1-[(4-chlorophenyl)methylsulfanyl]-N,N-dimethylmethanesulfonamide
SMILESCN(C)S(=O)(=O)CSCc1ccc(Cl)cc1
InChIInChI=1S/C10H14ClNO2S2/c1-12(2)16(13,14)8-15-7-9-3-5-10(11)6-4-9/h3-6H,7-8H2,1-2H3
InChIKeyVANOYVKJXYLRLH-UHFFFAOYSA-N
MW279.81 g/mol
LogP2.42
Rot. Bonds5

About 1-[(4-chlorophenyl)methylsulfanyl]-N,N-dimethylmethanesulfonamide

1-[(4-chlorophenyl)methylsulfanyl]-N,N-dimethylmethanesulfonamide (PubChem CID 124927946) has the molecular formula C10H14ClNO2S2 and a molecular weight of 279.81 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methylsulfanyl]-N,N-dimethylmethanesulfonamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methylsulfanyl]-N,N-dimethylmethanesulfonamide
PubChem CID124927946
Molecular FormulaC10H14ClNO2S2
Molecular Weight279.81 g/mol
Exact Mass279.02
IUPAC Name1-[(4-chlorophenyl)methylsulfanyl]-N,N-dimethylmethanesulfonamide
SMILESCN(C)S(=O)(=O)CSCc1ccc(Cl)cc1
InChIInChI=1S/C10H14ClNO2S2/c1-12(2)16(13,14)8-15-7-9-3-5-10(11)6-4-9/h3-6H,7-8H2,1-2H3
InChIKeyVANOYVKJXYLRLH-UHFFFAOYSA-N
XLogP2.42
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)methylsulfanyl]-N-methoxy-N-methylacetamide
CID 55027594
2-amino-2-(4-chlorophenyl)-N,N-dimethylethanesulfonamide
CID 82359794
(2S)-1-[(4-chlorophenyl)methylsulfanyl]propan-2-amine
CID 104971612
(4-chlorophenyl)methyl thiohypochlorite
CID 57103251
N-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-N-methylmethanesulfonamide
CID 110752759
1-(4-chlorophenyl)-4-[(dimethylsulfamoylamino)methyl]benzene
CID 110443542
3-[(4-chlorophenyl)methylsulfanyl]-2-hydroxy-2-methylpropanoic acid
CID 114790011
1-[(4-chlorophenyl)methylsulfanyl]pentan-2-one
CID 114790785
N,N'-bis[(4-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 10472232
5-[(4-chlorophenyl)methylsulfanyl]-N-methylsulfonylpentanamide
CID 167898568
2-[(4-chlorophenyl)methylsulfanyl]-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 79387561
3-[(4-chlorophenyl)methylsulfanyl]-N,N-dipropylpropanamide
CID 118680080

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methylsulfanyl]-N,N-dimethylmethanesulfonamide?
The IUPAC name of 1-[(4-chlorophenyl)methylsulfanyl]-N,N-dimethylmethanesulfonamide (CID 124927946) is 1-[(4-chlorophenyl)methylsulfanyl]-N,N-dimethylmethanesulfonamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methylsulfanyl]-N,N-dimethylmethanesulfonamide?
The canonical SMILES for 1-[(4-chlorophenyl)methylsulfanyl]-N,N-dimethylmethanesulfonamide is CN(C)S(=O)(=O)CSCc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methylsulfanyl]-N,N-dimethylmethanesulfonamide?
The InChIKey is VANOYVKJXYLRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2S2/c1-12(2)16(13,14)8-15-7-9-3-5-10(11)6-4-9/h3-6H,7-8H2,1-2H3.
What are the key properties of 1-[(4-chlorophenyl)methylsulfanyl]-N,N-dimethylmethanesulfonamide?
1-[(4-chlorophenyl)methylsulfanyl]-N,N-dimethylmethanesulfonamide has a molecular weight of 279.81 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methylsulfanyl]-N,N-dimethylmethanesulfonamide is sourced from PubChem (CID 124927946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).