5-chloro-2-methoxy-N,N,4-trimethylbenzenesulfonamide

C10H14ClNO3S — CID 934502

IUPAC5-chloro-2-methoxy-N,N,4-trimethylbenzenesulfonamide
SMILESCOc1cc(C)c(Cl)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C10H14ClNO3S/c1-7-5-9(15-4)10(6-8(7)11)16(13,14)12(2)3/h5-6H,1-4H3
InChIKeyCYAIIRMCYQHMNT-UHFFFAOYSA-N
MW263.75 g/mol
LogP1.91
Rot. Bonds3

About 5-chloro-2-methoxy-N,N,4-trimethylbenzenesulfonamide

5-chloro-2-methoxy-N,N,4-trimethylbenzenesulfonamide (PubChem CID 934502) has the molecular formula C10H14ClNO3S and a molecular weight of 263.75 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N,N,4-trimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N,N,4-trimethylbenzenesulfonamide
PubChem CID934502
Molecular FormulaC10H14ClNO3S
Molecular Weight263.75 g/mol
Exact Mass263.04
IUPAC Name5-chloro-2-methoxy-N,N,4-trimethylbenzenesulfonamide
SMILESCOc1cc(C)c(Cl)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C10H14ClNO3S/c1-7-5-9(15-4)10(6-8(7)11)16(13,14)12(2)3/h5-6H,1-4H3
InChIKeyCYAIIRMCYQHMNT-UHFFFAOYSA-N
XLogP1.91
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N,N,4,5-tetramethylbenzenesulfonamide
CID 6471319
5-amino-2-methoxy-N,N,4-trimethylbenzenesulfonamide
CID 79973622
5-chloro-N-[3-(dimethylamino)propyl]-2-methoxy-4-methylbenzenesulfonamide
CID 110757907
5-chloro-N-ethyl-2-methoxy-4-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 66485815
5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy-4-methylbenzenesulfonamide
CID 91669771
1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-3,5-dimethylpiperidine
CID 11841663
(3R,5R)-1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-3,5-dimethylpiperidine
CID 7314523
3-[(5-chloro-4-methoxy-2-methylphenyl)sulfonyl-methylamino]propanoic acid
CID 120606496
5-chloro-2-methoxy-4-methyl-N-[(3R)-3-methylpent-1-yn-3-yl]benzenesulfonamide
CID 7333036
5-chloro-2-methoxy-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 66486115
1-chloro-5-methoxy-2,4-dimethylbenzene
CID 18683267
N-[4-(dimethylsulfamoyl)-2-methoxy-5-methylphenyl]acetamide
CID 162727666

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N,N,4-trimethylbenzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N,N,4-trimethylbenzenesulfonamide (CID 934502) is 5-chloro-2-methoxy-N,N,4-trimethylbenzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N,N,4-trimethylbenzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N,N,4-trimethylbenzenesulfonamide is COc1cc(C)c(Cl)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 5-chloro-2-methoxy-N,N,4-trimethylbenzenesulfonamide?
The InChIKey is CYAIIRMCYQHMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO3S/c1-7-5-9(15-4)10(6-8(7)11)16(13,14)12(2)3/h5-6H,1-4H3.
What are the key properties of 5-chloro-2-methoxy-N,N,4-trimethylbenzenesulfonamide?
5-chloro-2-methoxy-N,N,4-trimethylbenzenesulfonamide has a molecular weight of 263.75 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N,N,4-trimethylbenzenesulfonamide is sourced from PubChem (CID 934502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).