N-[(2-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide

C15H14ClNO3S — CID 51178741

IUPACN-[(2-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESO=S(=O)(NCc1ccccc1Cl)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H14ClNO3S/c16-14-4-2-1-3-12(14)10-17-21(18,19)13-5-6-15-11(9-13)7-8-20-15/h1-6,9,17H,7-8,10H2
InChIKeyHPTLXVWQZKYHNH-UHFFFAOYSA-N
MW323.80 g/mol
LogP2.75
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide

N-[(2-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 51178741) has the molecular formula C15H14ClNO3S and a molecular weight of 323.80 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID51178741
Molecular FormulaC15H14ClNO3S
Molecular Weight323.80 g/mol
Exact Mass323.04
IUPAC NameN-[(2-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESO=S(=O)(NCc1ccccc1Cl)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H14ClNO3S/c16-14-4-2-1-3-12(14)10-17-21(18,19)13-5-6-15-11(9-13)7-8-20-15/h1-6,9,17H,7-8,10H2
InChIKeyHPTLXVWQZKYHNH-UHFFFAOYSA-N
XLogP2.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51178752
N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 55460511
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,3-benzodioxole-5-sulfonamide
CID 110787123
N-(pyridin-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51178731
3-bromo-4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 106610688
4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 2492101
3-chloro-N-[(2-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 3348028
N-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51178750
5-[(2-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 141276691
N-[(2-chlorophenyl)methyl]-3-fluorobenzenesulfonamide
CID 3851131
N-[(2-propan-2-ylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110671509
N-[2-(4-aminophenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 120715684

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 51178741) is N-[(2-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide is O=S(=O)(NCc1ccccc1Cl)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is HPTLXVWQZKYHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3S/c16-14-4-2-1-3-12(14)10-17-21(18,19)13-5-6-15-11(9-13)7-8-20-15/h1-6,9,17H,7-8,10H2.
What are the key properties of N-[(2-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-[(2-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 323.80 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 51178741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).