5-chloro-N-[(3-imidazol-1-ylcyclobutyl)methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide

C16H18ClN3O3S — CID 166308988

IUPAC5-chloro-N-[(3-imidazol-1-ylcyclobutyl)methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide
SMILESO=S(=O)(NCC1CC(n2ccnc2)C1)c1cc(Cl)cc2c1OCC2
InChIInChI=1S/C16H18ClN3O3S/c17-13-7-12-1-4-23-16(12)15(8-13)24(21,22)19-9-11-5-14(6-11)20-3-2-18-10-20/h2-3,7-8,10-11,14,19H,1,4-6,9H2
InChIKeyFJQOGBNBUFVDDL-UHFFFAOYSA-N
MW367.86 g/mol
LogP2.40
Rot. Bonds5

About 5-chloro-N-[(3-imidazol-1-ylcyclobutyl)methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide

5-chloro-N-[(3-imidazol-1-ylcyclobutyl)methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide (PubChem CID 166308988) has the molecular formula C16H18ClN3O3S and a molecular weight of 367.86 g/mol. Its IUPAC name is 5-chloro-N-[(3-imidazol-1-ylcyclobutyl)methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(3-imidazol-1-ylcyclobutyl)methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide
PubChem CID166308988
Molecular FormulaC16H18ClN3O3S
Molecular Weight367.86 g/mol
Exact Mass367.08
IUPAC Name5-chloro-N-[(3-imidazol-1-ylcyclobutyl)methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide
SMILESO=S(=O)(NCC1CC(n2ccnc2)C1)c1cc(Cl)cc2c1OCC2
InChIInChI=1S/C16H18ClN3O3S/c17-13-7-12-1-4-23-16(12)15(8-13)24(21,22)19-9-11-5-14(6-11)20-3-2-18-10-20/h2-3,7-8,10-11,14,19H,1,4-6,9H2
InChIKeyFJQOGBNBUFVDDL-UHFFFAOYSA-N
XLogP2.40
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.86
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(1,3-thiazol-4-ylmethyl)-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 75520545
5-chloro-2,3-dihydro-1-benzofuran-7-sulfonyl fluoride
CID 165461315
5-chloro-N-[(8S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 129326323
5-bromo-N-(piperidin-3-ylmethyl)-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 120707862
5-bromo-N-ethyl-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 75521928
5-bromo-N-[2-(methylamino)ethyl]-2,3-dihydro-1-benzofuran-7-sulfonamide;hydrochloride
CID 120708703
(2S)-N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(imidazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 124568548
5-chloro-N-(1-methylpiperidin-4-yl)-N-phenyl-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 86807357
5-chloro-N-[5-(3-cyanophenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 100725410
2,5-dichloro-N-[(3-chlorocyclobutyl)methyl]benzenesulfonamide
CID 66007400
3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methoxy]cyclobutan-1-amine
CID 113403353
N-[[(4S)-1-methyl-2-oxopiperidin-4-yl]methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 125421289

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3-imidazol-1-ylcyclobutyl)methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide?
The IUPAC name of 5-chloro-N-[(3-imidazol-1-ylcyclobutyl)methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide (CID 166308988) is 5-chloro-N-[(3-imidazol-1-ylcyclobutyl)methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(3-imidazol-1-ylcyclobutyl)methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide?
The canonical SMILES for 5-chloro-N-[(3-imidazol-1-ylcyclobutyl)methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide is O=S(=O)(NCC1CC(n2ccnc2)C1)c1cc(Cl)cc2c1OCC2.
What is the InChIKey of 5-chloro-N-[(3-imidazol-1-ylcyclobutyl)methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide?
The InChIKey is FJQOGBNBUFVDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3S/c17-13-7-12-1-4-23-16(12)15(8-13)24(21,22)19-9-11-5-14(6-11)20-3-2-18-10-20/h2-3,7-8,10-11,14,19H,1,4-6,9H2.
What are the key properties of 5-chloro-N-[(3-imidazol-1-ylcyclobutyl)methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide?
5-chloro-N-[(3-imidazol-1-ylcyclobutyl)methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide has a molecular weight of 367.86 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3-imidazol-1-ylcyclobutyl)methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide is sourced from PubChem (CID 166308988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).