1-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-2-ylsulfonyl)urea

C15H12Cl2N2O4S — CID 66800863

IUPAC1-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-2-ylsulfonyl)urea
SMILESNC(=O)N(c1ccc(Cl)c(Cl)c1)S(=O)(=O)C1Cc2ccccc2O1
InChIInChI=1S/C15H12Cl2N2O4S/c16-11-6-5-10(8-12(11)17)19(15(18)20)24(21,22)14-7-9-3-1-2-4-13(9)23-14/h1-6,8,14H,7H2,(H2,18,20)
InChIKeyNJDODDBCDFOJEQ-UHFFFAOYSA-N
MW387.24 g/mol
LogP3.17
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-2-ylsulfonyl)urea

1-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-2-ylsulfonyl)urea (PubChem CID 66800863) has the molecular formula C15H12Cl2N2O4S and a molecular weight of 387.24 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-2-ylsulfonyl)urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-2-ylsulfonyl)urea
PubChem CID66800863
Molecular FormulaC15H12Cl2N2O4S
Molecular Weight387.24 g/mol
Exact Mass385.99
IUPAC Name1-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-2-ylsulfonyl)urea
SMILESNC(=O)N(c1ccc(Cl)c(Cl)c1)S(=O)(=O)C1Cc2ccccc2O1
InChIInChI=1S/C15H12Cl2N2O4S/c16-11-6-5-10(8-12(11)17)19(15(18)20)24(21,22)14-7-9-3-1-2-4-13(9)23-14/h1-6,8,14H,7H2,(H2,18,20)
InChIKeyNJDODDBCDFOJEQ-UHFFFAOYSA-N
XLogP3.17
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.24
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(3,4-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9071678
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55414019
2-amino-5-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
CID 61140365
2-chloro-1-(2,3-dihydro-1-benzofuran-2-yl)ethanone
CID 45080935
2-chloro-1-[(2S)-2,3-dihydro-1-benzofuran-2-yl]ethanone
CID 93494296
N-carbonochloridoyl-N-(3,4-dichlorophenyl)carbamoyl chloride
CID 21400337
(2S)-N'-(2,5-dichlorobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide
CID 9087960
2-chloro-4-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)aniline
CID 79149379
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide
CID 133250313
(3-chlorophenyl)-[(2R)-2,3-dihydro-1-benzofuran-2-yl]methanone
CID 132502482
N-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18089270
(2,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-2-yl)methanol
CID 61081025

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-2-ylsulfonyl)urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-2-ylsulfonyl)urea (CID 66800863) is 1-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-2-ylsulfonyl)urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-2-ylsulfonyl)urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-2-ylsulfonyl)urea is NC(=O)N(c1ccc(Cl)c(Cl)c1)S(=O)(=O)C1Cc2ccccc2O1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-2-ylsulfonyl)urea?
The InChIKey is NJDODDBCDFOJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O4S/c16-11-6-5-10(8-12(11)17)19(15(18)20)24(21,22)14-7-9-3-1-2-4-13(9)23-14/h1-6,8,14H,7H2,(H2,18,20).
What are the key properties of 1-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-2-ylsulfonyl)urea?
1-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-2-ylsulfonyl)urea has a molecular weight of 387.24 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-2-ylsulfonyl)urea is sourced from PubChem (CID 66800863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).