N-(4-chlorophenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide

C14H12ClNO3S — CID 2810596

IUPACN-(4-chlorophenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H12ClNO3S/c15-11-1-3-12(4-2-11)16-20(17,18)13-5-6-14-10(9-13)7-8-19-14/h1-6,9,16H,7-8H2
InChIKeyRTMMNJSQGKLNGB-UHFFFAOYSA-N
MW309.77 g/mol
LogP3.08
Rot. Bonds3

About N-(4-chlorophenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide

N-(4-chlorophenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 2810596) has the molecular formula C14H12ClNO3S and a molecular weight of 309.77 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID2810596
Molecular FormulaC14H12ClNO3S
Molecular Weight309.77 g/mol
Exact Mass309.02
IUPAC NameN-(4-chlorophenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H12ClNO3S/c15-11-1-3-12(4-2-11)16-20(17,18)13-5-6-14-10(9-13)7-8-19-14/h1-6,9,16H,7-8H2
InChIKeyRTMMNJSQGKLNGB-UHFFFAOYSA-N
XLogP3.08
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ly-295501
CID 127737
N-(4-ethoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 893786
3-chloro-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 45369230
N-phenyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 2810595
N-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 2810598
N-(4-Chlorophenyl)-4-methoxybenzenesulfonamide
CID 598671
N-(3-chlorophenyl)-4-ethoxybenzenesulfonamide
CID 893367
N-[4-(benzyloxy)phenyl]-4-chlorobenzenesulfonamide
CID 985369
N-(4-chlorophenyl)-4-(2,6-dicyanophenoxy)benzenesulfonamide
CID 2805884
N-{[(4-chlorophenyl)amino]carbonyl}-2,3-dihydro-5-benzofuransulfonamide
CID 11501238
N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 2815475
(4-Chlorophenyl)[(4-methoxy-2,5-dimethylphenyl)sulfonyl]amine
CID 16644791

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-(4-chlorophenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 2810596) is N-(4-chlorophenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide is O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2c(c1)CCO2.
What is the InChIKey of N-(4-chlorophenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is RTMMNJSQGKLNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3S/c15-11-1-3-12(4-2-11)16-20(17,18)13-5-6-14-10(9-13)7-8-19-14/h1-6,9,16H,7-8H2.
What are the key properties of N-(4-chlorophenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-(4-chlorophenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 309.77 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 2810596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).