N-(2,4-difluorophenyl)-3,4-dihydro-2H-chromene-6-sulfonamide

C15H13F2NO3S — CID 110705681

IUPACN-(2,4-difluorophenyl)-3,4-dihydro-2H-chromene-6-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1F)c1ccc2c(c1)CCCO2
InChIInChI=1S/C15H13F2NO3S/c16-11-3-5-14(13(17)9-11)18-22(19,20)12-4-6-15-10(8-12)2-1-7-21-15/h3-6,8-9,18H,1-2,7H2
InChIKeyCRJVRLYNLBHALB-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.09
Rot. Bonds3

About N-(2,4-difluorophenyl)-3,4-dihydro-2H-chromene-6-sulfonamide

N-(2,4-difluorophenyl)-3,4-dihydro-2H-chromene-6-sulfonamide (PubChem CID 110705681) has the molecular formula C15H13F2NO3S and a molecular weight of 325.34 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-3,4-dihydro-2H-chromene-6-sulfonamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-3,4-dihydro-2H-chromene-6-sulfonamide
PubChem CID110705681
Molecular FormulaC15H13F2NO3S
Molecular Weight325.34 g/mol
Exact Mass325.06
IUPAC NameN-(2,4-difluorophenyl)-3,4-dihydro-2H-chromene-6-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1F)c1ccc2c(c1)CCCO2
InChIInChI=1S/C15H13F2NO3S/c16-11-3-5-14(13(17)9-11)18-22(19,20)12-4-6-15-10(8-12)2-1-7-21-15/h3-6,8-9,18H,1-2,7H2
InChIKeyCRJVRLYNLBHALB-UHFFFAOYSA-N
XLogP3.09
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,4-difluorophenyl)-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-(4-fluorophenyl)ethyl]-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705619
N-(5-amino-2-fluorophenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 43604962
N-(2,5-difluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 8500598
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705679
N-(2,4-dichlorophenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 110344403
N-(4-methylphenyl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705643
methyl 2-(3,4-dihydro-2H-chromen-6-ylsulfonylamino)benzoate
CID 110705670
N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-4-fluorobenzenesulfonamide
CID 110790458
N-(2,4-difluorophenyl)-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide
CID 46394712
3,4-dihydro-2H-chromene-6-sulfonic acid
CID 22471808
N-(4-bromo-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 46807417
N-(2,4-difluorophenyl)-1,3-benzoxazole-6-sulfonamide
CID 110759753

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-3,4-dihydro-2H-chromene-6-sulfonamide?
The IUPAC name of N-(2,4-difluorophenyl)-3,4-dihydro-2H-chromene-6-sulfonamide (CID 110705681) is N-(2,4-difluorophenyl)-3,4-dihydro-2H-chromene-6-sulfonamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-3,4-dihydro-2H-chromene-6-sulfonamide?
The canonical SMILES for N-(2,4-difluorophenyl)-3,4-dihydro-2H-chromene-6-sulfonamide is O=S(=O)(Nc1ccc(F)cc1F)c1ccc2c(c1)CCCO2.
What is the InChIKey of N-(2,4-difluorophenyl)-3,4-dihydro-2H-chromene-6-sulfonamide?
The InChIKey is CRJVRLYNLBHALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO3S/c16-11-3-5-14(13(17)9-11)18-22(19,20)12-4-6-15-10(8-12)2-1-7-21-15/h3-6,8-9,18H,1-2,7H2.
What are the key properties of N-(2,4-difluorophenyl)-3,4-dihydro-2H-chromene-6-sulfonamide?
N-(2,4-difluorophenyl)-3,4-dihydro-2H-chromene-6-sulfonamide has a molecular weight of 325.34 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-3,4-dihydro-2H-chromene-6-sulfonamide is sourced from PubChem (CID 110705681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).