N-[2-(4-fluorophenyl)ethyl]-3,4-dihydro-2H-chromene-6-sulfonamide

C17H18FNO3S — CID 110705619

IUPACN-[2-(4-fluorophenyl)ethyl]-3,4-dihydro-2H-chromene-6-sulfonamide
SMILESO=S(=O)(NCCc1ccc(F)cc1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C17H18FNO3S/c18-15-5-3-13(4-6-15)9-10-19-23(20,21)16-7-8-17-14(12-16)2-1-11-22-17/h3-8,12,19H,1-2,9-11H2
InChIKeyXGJQHGJLOOGKGI-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.67
Rot. Bonds5

About N-[2-(4-fluorophenyl)ethyl]-3,4-dihydro-2H-chromene-6-sulfonamide

N-[2-(4-fluorophenyl)ethyl]-3,4-dihydro-2H-chromene-6-sulfonamide (PubChem CID 110705619) has the molecular formula C17H18FNO3S and a molecular weight of 335.40 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-3,4-dihydro-2H-chromene-6-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-3,4-dihydro-2H-chromene-6-sulfonamide
PubChem CID110705619
Molecular FormulaC17H18FNO3S
Molecular Weight335.40 g/mol
Exact Mass335.10
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-3,4-dihydro-2H-chromene-6-sulfonamide
SMILESO=S(=O)(NCCc1ccc(F)cc1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C17H18FNO3S/c18-15-5-3-13(4-6-15)9-10-19-23(20,21)16-7-8-17-14(12-16)2-1-11-22-17/h3-8,12,19H,1-2,9-11H2
InChIKeyXGJQHGJLOOGKGI-UHFFFAOYSA-N
XLogP2.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-fluorophenyl)ethyl]-3,4-dihydro-2H-chromene-6-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-4-fluorobenzenesulfonamide
CID 110790458
N-[2-(4-aminophenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 120715684
N-(2,4-difluorophenyl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705681
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3,4-dihydro-2H-chromene-6-sulfonamide
CID 136520086
N-[(3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705600
N-[(4-methylpiperidin-4-yl)methyl]-3,4-dihydro-2H-chromene-6-sulfonamide
CID 120720142
N-[2-(4-aminophenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 120715722
N-(furan-2-ylmethyl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705597
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 17451134
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705679
2-(3,4-dihydro-2H-chromen-6-yl)ethylurea
CID 115168538
4-bromo-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 1320970

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3,4-dihydro-2H-chromene-6-sulfonamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3,4-dihydro-2H-chromene-6-sulfonamide (CID 110705619) is N-[2-(4-fluorophenyl)ethyl]-3,4-dihydro-2H-chromene-6-sulfonamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-3,4-dihydro-2H-chromene-6-sulfonamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-3,4-dihydro-2H-chromene-6-sulfonamide is O=S(=O)(NCCc1ccc(F)cc1)c1ccc2c(c1)CCCO2.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-3,4-dihydro-2H-chromene-6-sulfonamide?
The InChIKey is XGJQHGJLOOGKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3S/c18-15-5-3-13(4-6-15)9-10-19-23(20,21)16-7-8-17-14(12-16)2-1-11-22-17/h3-8,12,19H,1-2,9-11H2.
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-3,4-dihydro-2H-chromene-6-sulfonamide?
N-[2-(4-fluorophenyl)ethyl]-3,4-dihydro-2H-chromene-6-sulfonamide has a molecular weight of 335.40 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-3,4-dihydro-2H-chromene-6-sulfonamide is sourced from PubChem (CID 110705619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).