(5-chloro-8-chlorosulfonyl-3,4-dihydro-2H-chromen-4-yl) carbamate

C10H9Cl2NO5S — CID 175246778

IUPAC(5-chloro-8-chlorosulfonyl-3,4-dihydro-2H-chromen-4-yl) carbamate
SMILESNC(=O)OC1CCOc2c(S(=O)(=O)Cl)ccc(Cl)c21
InChIInChI=1S/C10H9Cl2NO5S/c11-5-1-2-7(19(12,15)16)9-8(5)6(3-4-17-9)18-10(13)14/h1-2,6H,3-4H2,(H2,13,14)
InChIKeyRUNKZGOMJZMEAM-UHFFFAOYSA-N
MW326.16 g/mol
LogP2.19
Rot. Bonds2

About (5-chloro-8-chlorosulfonyl-3,4-dihydro-2H-chromen-4-yl) carbamate

(5-chloro-8-chlorosulfonyl-3,4-dihydro-2H-chromen-4-yl) carbamate (PubChem CID 175246778) has the molecular formula C10H9Cl2NO5S and a molecular weight of 326.16 g/mol. Its IUPAC name is (5-chloro-8-chlorosulfonyl-3,4-dihydro-2H-chromen-4-yl) carbamate.

Molecular Properties

Compound Name(5-chloro-8-chlorosulfonyl-3,4-dihydro-2H-chromen-4-yl) carbamate
PubChem CID175246778
Molecular FormulaC10H9Cl2NO5S
Molecular Weight326.16 g/mol
Exact Mass324.96
IUPAC Name(5-chloro-8-chlorosulfonyl-3,4-dihydro-2H-chromen-4-yl) carbamate
SMILESNC(=O)OC1CCOc2c(S(=O)(=O)Cl)ccc(Cl)c21
InChIInChI=1S/C10H9Cl2NO5S/c11-5-1-2-7(19(12,15)16)9-8(5)6(3-4-17-9)18-10(13)14/h1-2,6H,3-4H2,(H2,13,14)
InChIKeyRUNKZGOMJZMEAM-UHFFFAOYSA-N
XLogP2.19
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.16
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
2-(6-Chloro-3-chlorosulfonyl-2-methoxyphenyl)propan-2-yl acetate
CID 132203435
1-(6-Chloro-3-chlorosulfonyl-2-methoxyphenyl)ethyl acetate
CID 132203595
(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-4-hydroxy-4-methyl-2,3-dihydrochromene-8-sulfonamide
CID 150825753
(8-benzylsulfanyl-5-chloro-3,4-dihydro-2H-chromen-4-yl) carbamate
CID 175246776

Frequently Asked Questions

What is the IUPAC name of (5-chloro-8-chlorosulfonyl-3,4-dihydro-2H-chromen-4-yl) carbamate?
The IUPAC name of (5-chloro-8-chlorosulfonyl-3,4-dihydro-2H-chromen-4-yl) carbamate (CID 175246778) is (5-chloro-8-chlorosulfonyl-3,4-dihydro-2H-chromen-4-yl) carbamate.
What is the SMILES notation for (5-chloro-8-chlorosulfonyl-3,4-dihydro-2H-chromen-4-yl) carbamate?
The canonical SMILES for (5-chloro-8-chlorosulfonyl-3,4-dihydro-2H-chromen-4-yl) carbamate is NC(=O)OC1CCOc2c(S(=O)(=O)Cl)ccc(Cl)c21.
What is the InChIKey of (5-chloro-8-chlorosulfonyl-3,4-dihydro-2H-chromen-4-yl) carbamate?
The InChIKey is RUNKZGOMJZMEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO5S/c11-5-1-2-7(19(12,15)16)9-8(5)6(3-4-17-9)18-10(13)14/h1-2,6H,3-4H2,(H2,13,14).
What are the key properties of (5-chloro-8-chlorosulfonyl-3,4-dihydro-2H-chromen-4-yl) carbamate?
(5-chloro-8-chlorosulfonyl-3,4-dihydro-2H-chromen-4-yl) carbamate has a molecular weight of 326.16 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-8-chlorosulfonyl-3,4-dihydro-2H-chromen-4-yl) carbamate is sourced from PubChem (CID 175246778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).