5-chloro-4-hydroxy-4-methyl-2,3-dihydrochromene-8-sulfonamide

C10H12ClNO4S — CID 150825753

IUPAC5-chloro-4-hydroxy-4-methyl-2,3-dihydrochromene-8-sulfonamide
SMILESCC1(O)CCOc2c(S(N)(=O)=O)ccc(Cl)c21
InChIInChI=1S/C10H12ClNO4S/c1-10(13)4-5-16-9-7(17(12,14)15)3-2-6(11)8(9)10/h2-3,13H,4-5H2,1H3,(H2,12,14,15)
InChIKeyKKWOMIWSLGPADN-UHFFFAOYSA-N
MW277.73 g/mol
LogP0.98
Rot. Bonds1

About 5-chloro-4-hydroxy-4-methyl-2,3-dihydrochromene-8-sulfonamide

5-chloro-4-hydroxy-4-methyl-2,3-dihydrochromene-8-sulfonamide (PubChem CID 150825753) has the molecular formula C10H12ClNO4S and a molecular weight of 277.73 g/mol. Its IUPAC name is 5-chloro-4-hydroxy-4-methyl-2,3-dihydrochromene-8-sulfonamide.

Molecular Properties

Compound Name5-chloro-4-hydroxy-4-methyl-2,3-dihydrochromene-8-sulfonamide
PubChem CID150825753
Molecular FormulaC10H12ClNO4S
Molecular Weight277.73 g/mol
Exact Mass277.02
IUPAC Name5-chloro-4-hydroxy-4-methyl-2,3-dihydrochromene-8-sulfonamide
SMILESCC1(O)CCOc2c(S(N)(=O)=O)ccc(Cl)c21
InChIInChI=1S/C10H12ClNO4S/c1-10(13)4-5-16-9-7(17(12,14)15)3-2-6(11)8(9)10/h2-3,13H,4-5H2,1H3,(H2,12,14,15)
InChIKeyKKWOMIWSLGPADN-UHFFFAOYSA-N
XLogP0.98
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Chloro-4,4-difluoro-2,3-dihydrochromene-8-sulfonyl chloride
CID 132203079
(5-Chloro-8-chlorosulfonyl-4-methyl-2,3-dihydrochromen-4-yl) 2,2,2-trifluoroacetate
CID 132203483
[5-Chloro-8-chlorosulfonyl-4-(trifluoromethyl)-2,3-dihydrochromen-4-yl] acetate
CID 138520549
5-chloro-4-(trifluoromethyl)-3,4-dihydro-2H-chromene-8-sulfonyl chloride
CID 174946790
2-(6-Chloro-3-chlorosulfonyl-2-methoxyphenyl)propan-2-yl acetate
CID 132203435
(5-Chloro-8-chlorosulfonyl-4-methyl-2,3-dihydrochromen-4-yl) acetate
CID 132203614
[5-Chloro-8-chlorosulfonyl-4-(trideuteriomethyl)-2,3-dihydrochromen-4-yl] acetate
CID 142750550
(5-chloro-8-chlorosulfonyl-3,4-dihydro-2H-chromen-4-yl) carbamate
CID 175246778
5-Chloro-4-methyl-8-sulfanyl-2,3-dihydrochromen-4-ol
CID 142600990
5-chloro-8-sulfanyl-3,4-dihydro-2H-chromen-4-ol
CID 145411169

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-hydroxy-4-methyl-2,3-dihydrochromene-8-sulfonamide?
The IUPAC name of 5-chloro-4-hydroxy-4-methyl-2,3-dihydrochromene-8-sulfonamide (CID 150825753) is 5-chloro-4-hydroxy-4-methyl-2,3-dihydrochromene-8-sulfonamide.
What is the SMILES notation for 5-chloro-4-hydroxy-4-methyl-2,3-dihydrochromene-8-sulfonamide?
The canonical SMILES for 5-chloro-4-hydroxy-4-methyl-2,3-dihydrochromene-8-sulfonamide is CC1(O)CCOc2c(S(N)(=O)=O)ccc(Cl)c21.
What is the InChIKey of 5-chloro-4-hydroxy-4-methyl-2,3-dihydrochromene-8-sulfonamide?
The InChIKey is KKWOMIWSLGPADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO4S/c1-10(13)4-5-16-9-7(17(12,14)15)3-2-6(11)8(9)10/h2-3,13H,4-5H2,1H3,(H2,12,14,15).
What are the key properties of 5-chloro-4-hydroxy-4-methyl-2,3-dihydrochromene-8-sulfonamide?
5-chloro-4-hydroxy-4-methyl-2,3-dihydrochromene-8-sulfonamide has a molecular weight of 277.73 g/mol, XLogP of 0.98, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-hydroxy-4-methyl-2,3-dihydrochromene-8-sulfonamide is sourced from PubChem (CID 150825753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).