N-[4-(4-fluorophenyl)-2,2,3-trimethylchromen-7-yl]methanesulfonamide

C19H20FNO3S — CID 25183421

IUPACN-[4-(4-fluorophenyl)-2,2,3-trimethylchromen-7-yl]methanesulfonamide
SMILESCC1=C(c2ccc(F)cc2)c2ccc(NS(C)(=O)=O)cc2OC1(C)C
InChIInChI=1S/C19H20FNO3S/c1-12-18(13-5-7-14(20)8-6-13)16-10-9-15(21-25(4,22)23)11-17(16)24-19(12,2)3/h5-11,21H,1-4H3
InChIKeyBUPRRNULXUIUST-UHFFFAOYSA-N
MW361.44 g/mol
LogP4.19
Rot. Bonds3

About N-[4-(4-fluorophenyl)-2,2,3-trimethylchromen-7-yl]methanesulfonamide

N-[4-(4-fluorophenyl)-2,2,3-trimethylchromen-7-yl]methanesulfonamide (PubChem CID 25183421) has the molecular formula C19H20FNO3S and a molecular weight of 361.44 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-2,2,3-trimethylchromen-7-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-2,2,3-trimethylchromen-7-yl]methanesulfonamide
PubChem CID25183421
Molecular FormulaC19H20FNO3S
Molecular Weight361.44 g/mol
Exact Mass361.11
IUPAC NameN-[4-(4-fluorophenyl)-2,2,3-trimethylchromen-7-yl]methanesulfonamide
SMILESCC1=C(c2ccc(F)cc2)c2ccc(NS(C)(=O)=O)cc2OC1(C)C
InChIInChI=1S/C19H20FNO3S/c1-12-18(13-5-7-14(20)8-6-13)16-10-9-15(21-25(4,22)23)11-17(16)24-19(12,2)3/h5-11,21H,1-4H3
InChIKeyBUPRRNULXUIUST-UHFFFAOYSA-N
XLogP4.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Benzo[b][1]benzoxepin-2-amine
CID 1382017
N-(4-methyl-2-oxo-2H-chromen-7-yl)benzenesulfonamide
CID 2813126
N-[4-(4-fluorophenyl)-2,2,5-trimethyl-1,3-benzoxazin-7-yl]methanesulfonamide
CID 25183420
N-[4-(4-chloro-2-methylphenyl)-2,2-dimethylchromen-7-yl]methanesulfonamide
CID 25183561
4-fluoro-N-(4-methyl-2-oxo-2H-chromen-7-yl)benzenesulfonamide
CID 2813127
3-Benzyloxy-4-methyl-phenylamine
CID 2794625
N-((6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-yl)methanesulfonamide
CID 46232434
N-(3-fluoro-4-methylphenyl)-2-phenoxyethanesulfonamide
CID 56764852
n-(3-Methoxy-4-methylphenyl)benzenesulfonamide
CID 248885
2,6-difluoro-N-(3-phenylmethoxyphenyl)benzenesulfonamide
CID 3715748
(E)-N-(3-methoxyphenyl)-2-phenylethenesulfonamide
CID 5992579
N-[6,6,9-trimethyl-3-(2-methyloctan-2-yl)-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl]methanesulfonamide
CID 90673864

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-2,2,3-trimethylchromen-7-yl]methanesulfonamide?
The IUPAC name of N-[4-(4-fluorophenyl)-2,2,3-trimethylchromen-7-yl]methanesulfonamide (CID 25183421) is N-[4-(4-fluorophenyl)-2,2,3-trimethylchromen-7-yl]methanesulfonamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-2,2,3-trimethylchromen-7-yl]methanesulfonamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-2,2,3-trimethylchromen-7-yl]methanesulfonamide is CC1=C(c2ccc(F)cc2)c2ccc(NS(C)(=O)=O)cc2OC1(C)C.
What is the InChIKey of N-[4-(4-fluorophenyl)-2,2,3-trimethylchromen-7-yl]methanesulfonamide?
The InChIKey is BUPRRNULXUIUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3S/c1-12-18(13-5-7-14(20)8-6-13)16-10-9-15(21-25(4,22)23)11-17(16)24-19(12,2)3/h5-11,21H,1-4H3.
What are the key properties of N-[4-(4-fluorophenyl)-2,2,3-trimethylchromen-7-yl]methanesulfonamide?
N-[4-(4-fluorophenyl)-2,2,3-trimethylchromen-7-yl]methanesulfonamide has a molecular weight of 361.44 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-2,2,3-trimethylchromen-7-yl]methanesulfonamide is sourced from PubChem (CID 25183421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).