4,5-dimethoxy-2-methyl-N-phenyl-N-propan-2-ylbenzenesulfonamide

C18H23NO4S — CID 56541458

IUPAC4,5-dimethoxy-2-methyl-N-phenyl-N-propan-2-ylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)N(c2ccccc2)C(C)C)cc1OC
InChIInChI=1S/C18H23NO4S/c1-13(2)19(15-9-7-6-8-10-15)24(20,21)18-12-17(23-5)16(22-4)11-14(18)3/h6-13H,1-5H3
InChIKeyDDUYFZBSJIDRCV-UHFFFAOYSA-N
MW349.45 g/mol
LogP3.62
Rot. Bonds6

About 4,5-dimethoxy-2-methyl-N-phenyl-N-propan-2-ylbenzenesulfonamide

4,5-dimethoxy-2-methyl-N-phenyl-N-propan-2-ylbenzenesulfonamide (PubChem CID 56541458) has the molecular formula C18H23NO4S and a molecular weight of 349.45 g/mol. Its IUPAC name is 4,5-dimethoxy-2-methyl-N-phenyl-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4,5-dimethoxy-2-methyl-N-phenyl-N-propan-2-ylbenzenesulfonamide
PubChem CID56541458
Molecular FormulaC18H23NO4S
Molecular Weight349.45 g/mol
Exact Mass349.13
IUPAC Name4,5-dimethoxy-2-methyl-N-phenyl-N-propan-2-ylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)N(c2ccccc2)C(C)C)cc1OC
InChIInChI=1S/C18H23NO4S/c1-13(2)19(15-9-7-6-8-10-15)24(20,21)18-12-17(23-5)16(22-4)11-14(18)3/h6-13H,1-5H3
InChIKeyDDUYFZBSJIDRCV-UHFFFAOYSA-N
XLogP3.62
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-4,5-dimethoxy-2-methyl-N-phenylbenzenesulfonamide
CID 60609634
2,4-dichloro-5-methyl-N-phenyl-N-propan-2-ylbenzenesulfonamide
CID 3739350
3-bromo-5-chloro-2-methoxy-N-phenyl-N-propan-2-ylbenzenesulfonamide
CID 56541366
N,N-diethyl-4,5-dimethoxy-2-methylbenzenesulfonamide
CID 60744825
1,2-dimethoxy-4-methyl-5-(2-methylphenyl)sulfonylbenzene
CID 23312101
4,5-dimethoxy-N,2-dimethyl-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 55766353
N-ethyl-2-methoxy-4,5-dimethyl-N-phenylbenzenesulfonamide
CID 66485774
2-methyl-4-(2-oxopyrrolidin-1-yl)-N-phenyl-N-propan-2-ylbenzenesulfonamide
CID 56541173
4,5-dimethoxy-2-methylbenzenesulfonamide
CID 35299033
4,5-dimethoxy-2-methylbenzenesulfonyl fluoride
CID 82475781
N-(2-aminoethyl)-4,5-dimethoxy-N,2-dimethylbenzenesulfonamide
CID 55104084
4-(4,5-dimethoxy-2-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine
CID 39329827

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-methyl-N-phenyl-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4,5-dimethoxy-2-methyl-N-phenyl-N-propan-2-ylbenzenesulfonamide (CID 56541458) is 4,5-dimethoxy-2-methyl-N-phenyl-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4,5-dimethoxy-2-methyl-N-phenyl-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4,5-dimethoxy-2-methyl-N-phenyl-N-propan-2-ylbenzenesulfonamide is COc1cc(C)c(S(=O)(=O)N(c2ccccc2)C(C)C)cc1OC.
What is the InChIKey of 4,5-dimethoxy-2-methyl-N-phenyl-N-propan-2-ylbenzenesulfonamide?
The InChIKey is DDUYFZBSJIDRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4S/c1-13(2)19(15-9-7-6-8-10-15)24(20,21)18-12-17(23-5)16(22-4)11-14(18)3/h6-13H,1-5H3.
What are the key properties of 4,5-dimethoxy-2-methyl-N-phenyl-N-propan-2-ylbenzenesulfonamide?
4,5-dimethoxy-2-methyl-N-phenyl-N-propan-2-ylbenzenesulfonamide has a molecular weight of 349.45 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-methyl-N-phenyl-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 56541458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).