2,3-dimethyl-4-phenylmethoxybenzenesulfonamide

C15H17NO3S — CID 43342343

IUPAC2,3-dimethyl-4-phenylmethoxybenzenesulfonamide
SMILESCc1c(OCc2ccccc2)ccc(S(N)(=O)=O)c1C
InChIInChI=1S/C15H17NO3S/c1-11-12(2)15(20(16,17)18)9-8-14(11)19-10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H2,16,17,18)
InChIKeyAKPGCGKLCUGCQP-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.53
Rot. Bonds4

About 2,3-dimethyl-4-phenylmethoxybenzenesulfonamide

2,3-dimethyl-4-phenylmethoxybenzenesulfonamide (PubChem CID 43342343) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 2,3-dimethyl-4-phenylmethoxybenzenesulfonamide.

Molecular Properties

Compound Name2,3-dimethyl-4-phenylmethoxybenzenesulfonamide
PubChem CID43342343
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name2,3-dimethyl-4-phenylmethoxybenzenesulfonamide
SMILESCc1c(OCc2ccccc2)ccc(S(N)(=O)=O)c1C
InChIInChI=1S/C15H17NO3S/c1-11-12(2)15(20(16,17)18)9-8-14(11)19-10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H2,16,17,18)
InChIKeyAKPGCGKLCUGCQP-UHFFFAOYSA-N
XLogP2.53
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-2,3-dimethylbenzenesulfonamide
CID 43164397
2,3-dichloro-4-phenylmethoxybenzenesulfonamide
CID 43164582
8-phenylmethoxyquinoline-5-sulfonamide
CID 60758024
2,3-dimethyl-4-prop-2-enoxybenzenesulfonamide
CID 82922074
4-(2,3-dimethyl-4-sulfamoylphenoxy)butanoic acid
CID 43342347
4-(cyclopropylmethoxy)-2,3-dimethylbenzenesulfonamide
CID 43560584
5-(2-aminoethyl)-2-phenylmethoxybenzenesulfonamide
CID 18409158
2,3-dimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide
CID 82922072
4-phenylmethoxynaphthalene-1-sulfonyl chloride
CID 45156377
2-amino-4-phenylmethoxybenzenesulfonamide
CID 79466915
4-[2-(3-methoxypropoxy)ethoxy]-2,3-dimethylbenzenesulfonamide
CID 103180943
2-bromo-3-methyl-4-phenylmethoxyphenol
CID 150350676

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-phenylmethoxybenzenesulfonamide?
The IUPAC name of 2,3-dimethyl-4-phenylmethoxybenzenesulfonamide (CID 43342343) is 2,3-dimethyl-4-phenylmethoxybenzenesulfonamide.
What is the SMILES notation for 2,3-dimethyl-4-phenylmethoxybenzenesulfonamide?
The canonical SMILES for 2,3-dimethyl-4-phenylmethoxybenzenesulfonamide is Cc1c(OCc2ccccc2)ccc(S(N)(=O)=O)c1C.
What is the InChIKey of 2,3-dimethyl-4-phenylmethoxybenzenesulfonamide?
The InChIKey is AKPGCGKLCUGCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-11-12(2)15(20(16,17)18)9-8-14(11)19-10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H2,16,17,18).
What are the key properties of 2,3-dimethyl-4-phenylmethoxybenzenesulfonamide?
2,3-dimethyl-4-phenylmethoxybenzenesulfonamide has a molecular weight of 291.37 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-phenylmethoxybenzenesulfonamide is sourced from PubChem (CID 43342343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).