4-carbamoyl-3,4-dihydro-2H-chromene-6-sulfonyl chloride

C10H10ClNO4S — CID 65367733

IUPAC4-carbamoyl-3,4-dihydro-2H-chromene-6-sulfonyl chloride
SMILESNC(=O)C1CCOc2ccc(S(=O)(=O)Cl)cc21
InChIInChI=1S/C10H10ClNO4S/c11-17(14,15)6-1-2-9-8(5-6)7(10(12)13)3-4-16-9/h1-2,5,7H,3-4H2,(H2,12,13)
InChIKeyMSAIKAJTBUVOEA-UHFFFAOYSA-N
MW275.71 g/mol
LogP0.97
Rot. Bonds2

About 4-carbamoyl-3,4-dihydro-2H-chromene-6-sulfonyl chloride

4-carbamoyl-3,4-dihydro-2H-chromene-6-sulfonyl chloride (PubChem CID 65367733) has the molecular formula C10H10ClNO4S and a molecular weight of 275.71 g/mol. Its IUPAC name is 4-carbamoyl-3,4-dihydro-2H-chromene-6-sulfonyl chloride.

Molecular Properties

Compound Name4-carbamoyl-3,4-dihydro-2H-chromene-6-sulfonyl chloride
PubChem CID65367733
Molecular FormulaC10H10ClNO4S
Molecular Weight275.71 g/mol
Exact Mass275.00
IUPAC Name4-carbamoyl-3,4-dihydro-2H-chromene-6-sulfonyl chloride
SMILESNC(=O)C1CCOc2ccc(S(=O)(=O)Cl)cc21
InChIInChI=1S/C10H10ClNO4S/c11-17(14,15)6-1-2-9-8(5-6)7(10(12)13)3-4-16-9/h1-2,5,7H,3-4H2,(H2,12,13)
InChIKeyMSAIKAJTBUVOEA-UHFFFAOYSA-N
XLogP0.97
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclopropylcarbamoyl)-3,4-dihydro-2H-chromene-6-sulfonyl chloride
CID 65367992
4-(propylcarbamoyl)-3,4-dihydro-2H-chromene-6-sulfonyl chloride
CID 65368865
3-(cyclopentylcarbamoyl)-2,3-dihydro-1-benzofuran-5-sulfonyl chloride
CID 65367607
ethyl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate
CID 65379594
3-(cyclopropylmethylcarbamoyl)-2,3-dihydro-1-benzofuran-5-sulfonyl chloride
CID 65372959
cyclobutyl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate
CID 65382512
3-(propan-2-ylcarbamoyl)-2,3-dihydro-1-benzofuran-5-sulfonyl chloride
CID 65368604
3-(tert-butylcarbamoyl)-2,3-dihydro-1-benzofuran-5-sulfonyl chloride
CID 65370642
oxetan-3-yl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate
CID 102608652
3-(cyclobutylmethylcarbamoyl)-2,3-dihydro-1-benzofuran-5-sulfonyl chloride
CID 65372271
3-(2,2,2-trifluoroethylcarbamoyl)-2,3-dihydro-1-benzofuran-5-sulfonyl chloride
CID 65372967
2,3-dihydro-1-benzofuran-5-sulfonyl chloride
CID 2776154

Frequently Asked Questions

What is the IUPAC name of 4-carbamoyl-3,4-dihydro-2H-chromene-6-sulfonyl chloride?
The IUPAC name of 4-carbamoyl-3,4-dihydro-2H-chromene-6-sulfonyl chloride (CID 65367733) is 4-carbamoyl-3,4-dihydro-2H-chromene-6-sulfonyl chloride.
What is the SMILES notation for 4-carbamoyl-3,4-dihydro-2H-chromene-6-sulfonyl chloride?
The canonical SMILES for 4-carbamoyl-3,4-dihydro-2H-chromene-6-sulfonyl chloride is NC(=O)C1CCOc2ccc(S(=O)(=O)Cl)cc21.
What is the InChIKey of 4-carbamoyl-3,4-dihydro-2H-chromene-6-sulfonyl chloride?
The InChIKey is MSAIKAJTBUVOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO4S/c11-17(14,15)6-1-2-9-8(5-6)7(10(12)13)3-4-16-9/h1-2,5,7H,3-4H2,(H2,12,13).
What are the key properties of 4-carbamoyl-3,4-dihydro-2H-chromene-6-sulfonyl chloride?
4-carbamoyl-3,4-dihydro-2H-chromene-6-sulfonyl chloride has a molecular weight of 275.71 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbamoyl-3,4-dihydro-2H-chromene-6-sulfonyl chloride is sourced from PubChem (CID 65367733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).