N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,3-dihydro-1H-indene-5-sulfonamide

C13H17F2NO3S — CID 107483562

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,3-dihydro-1H-indene-5-sulfonamide
SMILESO=S(=O)(c1ccc2c(c1)CCC2)N(CCO)CC(F)F
InChIInChI=1S/C13H17F2NO3S/c14-13(15)9-16(6-7-17)20(18,19)12-5-4-10-2-1-3-11(10)8-12/h4-5,8,13,17H,1-3,6-7,9H2
InChIKeyRPURDNYEMFVMKD-UHFFFAOYSA-N
MW305.35 g/mol
LogP1.42
Rot. Bonds6

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,3-dihydro-1H-indene-5-sulfonamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 107483562) has the molecular formula C13H17F2NO3S and a molecular weight of 305.35 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID107483562
Molecular FormulaC13H17F2NO3S
Molecular Weight305.35 g/mol
Exact Mass305.09
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,3-dihydro-1H-indene-5-sulfonamide
SMILESO=S(=O)(c1ccc2c(c1)CCC2)N(CCO)CC(F)F
InChIInChI=1S/C13H17F2NO3S/c14-13(15)9-16(6-7-17)20(18,19)12-5-4-10-2-1-3-11(10)8-12/h4-5,8,13,17H,1-3,6-7,9H2
InChIKeyRPURDNYEMFVMKD-UHFFFAOYSA-N
XLogP1.42
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(2-hydroxyethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 54878655
N-(2-hydroxyethyl)-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 43574607
N-(3-aminopropyl)-N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 43136904
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide
CID 107483531
3,4-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)benzenesulfonamide
CID 107492813
N-(2-aminoethyl)-N-propan-2-yl-2,3-dihydro-1H-indene-5-sulfonamide
CID 61348755
methyl 2-[2,3-dihydro-1H-inden-5-ylsulfonyl(ethyl)amino]acetate
CID 61384140
4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 107478999
N-(2,2-difluoroethyl)-4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide
CID 107479241
N-(2-aminoethyl)-N-methyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 61348924
N-(2-aminoethyl)-N-benzyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 120584317
2-[cyclopropylmethyl(2,3-dihydro-1H-inden-5-ylsulfonyl)amino]acetic acid
CID 43656196

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,3-dihydro-1H-indene-5-sulfonamide (CID 107483562) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,3-dihydro-1H-indene-5-sulfonamide is O=S(=O)(c1ccc2c(c1)CCC2)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is RPURDNYEMFVMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO3S/c14-13(15)9-16(6-7-17)20(18,19)12-5-4-10-2-1-3-11(10)8-12/h4-5,8,13,17H,1-3,6-7,9H2.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,3-dihydro-1H-indene-5-sulfonamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 305.35 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 107483562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).