(4S)-7-fluoro-4-[methyl(sulfamoyl)amino]-3,4-dihydro-2H-chromene

C10H13FN2O3S — CID 165409943

IUPAC(4S)-7-fluoro-4-[methyl(sulfamoyl)amino]-3,4-dihydro-2H-chromene
SMILESCN([C@H]1CCOc2cc(F)ccc21)S(N)(=O)=O
InChIInChI=1S/C10H13FN2O3S/c1-13(17(12,14)15)9-4-5-16-10-6-7(11)2-3-8(9)10/h2-3,6,9H,4-5H2,1H3,(H2,12,14,15)/t9-/m0/s1
InChIKeyLKOSEVXOXPTREH-VIFPVBQESA-N
MW260.29 g/mol
LogP0.78
Rot. Bonds2

About (4S)-7-fluoro-4-[methyl(sulfamoyl)amino]-3,4-dihydro-2H-chromene

(4S)-7-fluoro-4-[methyl(sulfamoyl)amino]-3,4-dihydro-2H-chromene (PubChem CID 165409943) has the molecular formula C10H13FN2O3S and a molecular weight of 260.29 g/mol. Its IUPAC name is (4S)-7-fluoro-4-[methyl(sulfamoyl)amino]-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name(4S)-7-fluoro-4-[methyl(sulfamoyl)amino]-3,4-dihydro-2H-chromene
PubChem CID165409943
Molecular FormulaC10H13FN2O3S
Molecular Weight260.29 g/mol
Exact Mass260.06
IUPAC Name(4S)-7-fluoro-4-[methyl(sulfamoyl)amino]-3,4-dihydro-2H-chromene
SMILESCN([C@H]1CCOc2cc(F)ccc21)S(N)(=O)=O
InChIInChI=1S/C10H13FN2O3S/c1-13(17(12,14)15)9-4-5-16-10-6-7(11)2-3-8(9)10/h2-3,6,9H,4-5H2,1H3,(H2,12,14,15)/t9-/m0/s1
InChIKeyLKOSEVXOXPTREH-VIFPVBQESA-N
XLogP0.78
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-methylsulfamoyl]carbamate
CID 165409866
N-(3,4-dihydro-2H-chromen-4-yl)-4-fluoro-N,3-dimethylbenzenesulfonamide
CID 110751222
N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-fluorophenyl)-N-methylacetamide
CID 110751168
tert-butyl N-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate
CID 144863293
6-fluoro-4-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-chromene
CID 163753941
8-fluoro-N-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 81482118
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)propane-1-sulfonamide
CID 110751326
N-(3,4-dihydro-2H-chromen-4-yl)-N,2-dimethylbenzenesulfonamide
CID 110751242
2-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide
CID 170311595
4-amino-9-fluoro-2,3,4,6-tetrahydro-1,6-benzoxazocin-5-one
CID 117246884
N-(3,4-dihydro-2H-chromen-4-yl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 110751240
5-chloro-2-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-4-(trifluoromethyl)benzoyl chloride
CID 170311599

Frequently Asked Questions

What is the IUPAC name of (4S)-7-fluoro-4-[methyl(sulfamoyl)amino]-3,4-dihydro-2H-chromene?
The IUPAC name of (4S)-7-fluoro-4-[methyl(sulfamoyl)amino]-3,4-dihydro-2H-chromene (CID 165409943) is (4S)-7-fluoro-4-[methyl(sulfamoyl)amino]-3,4-dihydro-2H-chromene.
What is the SMILES notation for (4S)-7-fluoro-4-[methyl(sulfamoyl)amino]-3,4-dihydro-2H-chromene?
The canonical SMILES for (4S)-7-fluoro-4-[methyl(sulfamoyl)amino]-3,4-dihydro-2H-chromene is CN([C@H]1CCOc2cc(F)ccc21)S(N)(=O)=O.
What is the InChIKey of (4S)-7-fluoro-4-[methyl(sulfamoyl)amino]-3,4-dihydro-2H-chromene?
The InChIKey is LKOSEVXOXPTREH-VIFPVBQESA-N. The full InChI is InChI=1S/C10H13FN2O3S/c1-13(17(12,14)15)9-4-5-16-10-6-7(11)2-3-8(9)10/h2-3,6,9H,4-5H2,1H3,(H2,12,14,15)/t9-/m0/s1.
What are the key properties of (4S)-7-fluoro-4-[methyl(sulfamoyl)amino]-3,4-dihydro-2H-chromene?
(4S)-7-fluoro-4-[methyl(sulfamoyl)amino]-3,4-dihydro-2H-chromene has a molecular weight of 260.29 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-fluoro-4-[methyl(sulfamoyl)amino]-3,4-dihydro-2H-chromene is sourced from PubChem (CID 165409943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).