N-[(2,2-dimethylchromen-6-yl)methyl]-4-fluoro-N-propan-2-ylbenzenesulfonamide

C21H24FNO3S — CID 70696815

IUPACN-[(2,2-dimethylchromen-6-yl)methyl]-4-fluoro-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(Cc1ccc2c(c1)C=CC(C)(C)O2)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C21H24FNO3S/c1-15(2)23(27(24,25)19-8-6-18(22)7-9-19)14-16-5-10-20-17(13-16)11-12-21(3,4)26-20/h5-13,15H,14H2,1-4H3
InChIKeyJSGYPGQGJJHHEK-UHFFFAOYSA-N
MW389.49 g/mol
LogP4.61
Rot. Bonds5

About N-[(2,2-dimethylchromen-6-yl)methyl]-4-fluoro-N-propan-2-ylbenzenesulfonamide

N-[(2,2-dimethylchromen-6-yl)methyl]-4-fluoro-N-propan-2-ylbenzenesulfonamide (PubChem CID 70696815) has the molecular formula C21H24FNO3S and a molecular weight of 389.49 g/mol. Its IUPAC name is N-[(2,2-dimethylchromen-6-yl)methyl]-4-fluoro-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2,2-dimethylchromen-6-yl)methyl]-4-fluoro-N-propan-2-ylbenzenesulfonamide
PubChem CID70696815
Molecular FormulaC21H24FNO3S
Molecular Weight389.49 g/mol
Exact Mass389.15
IUPAC NameN-[(2,2-dimethylchromen-6-yl)methyl]-4-fluoro-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(Cc1ccc2c(c1)C=CC(C)(C)O2)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C21H24FNO3S/c1-15(2)23(27(24,25)19-8-6-18(22)7-9-19)14-16-5-10-20-17(13-16)11-12-21(3,4)26-20/h5-13,15H,14H2,1-4H3
InChIKeyJSGYPGQGJJHHEK-UHFFFAOYSA-N
XLogP4.61
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.49
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,2-dimethylchromen-6-yl)methyl]-3,5-dimethyl-N-phenylbenzenesulfonamide
CID 53472867
N-cyclopentyl-N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxybenzenesulfonamide
CID 54575618
N-[(2,2-dimethylchromen-6-yl)methyl]-4-methoxy-N-phenylbenzenesulfonamide
CID 54575619
N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxy-N-(2-methylpropyl)benzenesulfonamide
CID 56679261
N-[(2,2-dimethylchromen-6-yl)methyl]-N-(2-methylpropyl)naphthalene-1-sulfonamide
CID 53483998
2,5-dichloro-N-[(2,2-dimethylchromen-6-yl)methyl]-N-(2-methylpropyl)benzenesulfonamide
CID 56679260
N-benzyl-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide
CID 71623176
N-benzyl-N-[(4-ethoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 71623177
N-cyclobutyl-N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxybenzenesulfonamide
CID 137631958
N-cyclobutyl-N-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]-3,4-dimethoxybenzenesulfonamide
CID 137639067
N-[(2,2-dimethylchromen-6-yl)methyl]-3-methoxy-N-phenylbenzenesulfonamide
CID 137642034
N-cyclohexyl-N-[(2,2-dimethylchromen-6-yl)methyl]-2,4-dimethoxybenzenesulfonamide
CID 56662203

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylchromen-6-yl)methyl]-4-fluoro-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[(2,2-dimethylchromen-6-yl)methyl]-4-fluoro-N-propan-2-ylbenzenesulfonamide (CID 70696815) is N-[(2,2-dimethylchromen-6-yl)methyl]-4-fluoro-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[(2,2-dimethylchromen-6-yl)methyl]-4-fluoro-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[(2,2-dimethylchromen-6-yl)methyl]-4-fluoro-N-propan-2-ylbenzenesulfonamide is CC(C)N(Cc1ccc2c(c1)C=CC(C)(C)O2)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[(2,2-dimethylchromen-6-yl)methyl]-4-fluoro-N-propan-2-ylbenzenesulfonamide?
The InChIKey is JSGYPGQGJJHHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO3S/c1-15(2)23(27(24,25)19-8-6-18(22)7-9-19)14-16-5-10-20-17(13-16)11-12-21(3,4)26-20/h5-13,15H,14H2,1-4H3.
What are the key properties of N-[(2,2-dimethylchromen-6-yl)methyl]-4-fluoro-N-propan-2-ylbenzenesulfonamide?
N-[(2,2-dimethylchromen-6-yl)methyl]-4-fluoro-N-propan-2-ylbenzenesulfonamide has a molecular weight of 389.49 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylchromen-6-yl)methyl]-4-fluoro-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 70696815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).