N-[7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-yl]-N',N'-dimethylethane-1,2-diamine

C19H23FN2O3S — CID 11689388

IUPACN-[7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNC1CCOc2cc(S(=O)(=O)c3cccc(F)c3)ccc21
InChIInChI=1S/C19H23FN2O3S/c1-22(2)10-9-21-18-8-11-25-19-13-16(6-7-17(18)19)26(23,24)15-5-3-4-14(20)12-15/h3-7,12-13,18,21H,8-11H2,1-2H3
InChIKeyRLMMMUCBGXLVEX-UHFFFAOYSA-N
MW378.47 g/mol
LogP2.63
Rot. Bonds6

About N-[7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-yl]-N',N'-dimethylethane-1,2-diamine

N-[7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 11689388) has the molecular formula C19H23FN2O3S and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID11689388
Molecular FormulaC19H23FN2O3S
Molecular Weight378.47 g/mol
Exact Mass378.14
IUPAC NameN-[7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNC1CCOc2cc(S(=O)(=O)c3cccc(F)c3)ccc21
InChIInChI=1S/C19H23FN2O3S/c1-22(2)10-9-21-18-8-11-25-19-13-16(6-7-17(18)19)26(23,24)15-5-3-4-14(20)12-15/h3-7,12-13,18,21H,8-11H2,1-2H3
InChIKeyRLMMMUCBGXLVEX-UHFFFAOYSA-N
XLogP2.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-yl]-N',N'-dimethylethane-1,2-diamine (CID 11689388) is N-[7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-yl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNC1CCOc2cc(S(=O)(=O)c3cccc(F)c3)ccc21.
What is the InChIKey of N-[7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is RLMMMUCBGXLVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3S/c1-22(2)10-9-21-18-8-11-25-19-13-16(6-7-17(18)19)26(23,24)15-5-3-4-14(20)12-15/h3-7,12-13,18,21H,8-11H2,1-2H3.
What are the key properties of N-[7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-yl]-N',N'-dimethylethane-1,2-diamine?
N-[7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 378.47 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 11689388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).