N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzenesulfonamide

C16H17NO3S — CID 95983148

IUPACN-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@@]1(O)CCc2ccccc21)c1ccccc1
InChIInChI=1S/C16H17NO3S/c18-16(11-10-13-6-4-5-9-15(13)16)12-17-21(19,20)14-7-2-1-3-8-14/h1-9,17-18H,10-12H2/t16-/m0/s1
InChIKeyPUMASNSSYHJIHT-INIZCTEOSA-N
MW303.38 g/mol
LogP1.80
Rot. Bonds4

About N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzenesulfonamide

N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzenesulfonamide (PubChem CID 95983148) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzenesulfonamide
PubChem CID95983148
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC NameN-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@@]1(O)CCc2ccccc21)c1ccccc1
InChIInChI=1S/C16H17NO3S/c18-16(11-10-13-6-4-5-9-15(13)16)12-17-21(19,20)14-7-2-1-3-8-14/h1-9,17-18H,10-12H2/t16-/m0/s1
InChIKeyPUMASNSSYHJIHT-INIZCTEOSA-N
XLogP1.80
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-hydroxy-2-phenylpropyl]benzenesulfonamide
CID 3246205
N-(2-hydroxy-2-phenylpropyl)benzenesulfonamide
CID 242440
2,6-difluoro-N-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)benzenesulfonamide
CID 71782180
4-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide
CID 11100455
9-hydroxy-N2,N7-diisopentyl-9H-fluorene-2,7-disulfonamide
CID 2138684
N-(2-hydroxy-2-phenylpropyl)-2,4-dimethylbenzenesulfonamide
CID 56765377
N-(2-hydroxy-2-phenylpropyl)-4-(trifluoromethyl)benzenesulfonamide
CID 56765389
2,5-difluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide
CID 71781998
4-fluoro-N-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)-2-methylbenzenesulfonamide
CID 71782178
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-fluorobenzenesulfonamide
CID 71788798
4-fluoro-N-((2-hydroxy-2,3-dihydro-1H-inden-2-yl)methyl)-2-methylbenzenesulfonamide
CID 91631211
N-(2-hydroxy-2,2-diphenylethyl)-4-methylbenzenesulfonamide
CID 13459466

Frequently Asked Questions

What is the IUPAC name of N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzenesulfonamide?
The IUPAC name of N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzenesulfonamide (CID 95983148) is N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzenesulfonamide is O=S(=O)(NC[C@@]1(O)CCc2ccccc21)c1ccccc1.
What is the InChIKey of N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzenesulfonamide?
The InChIKey is PUMASNSSYHJIHT-INIZCTEOSA-N. The full InChI is InChI=1S/C16H17NO3S/c18-16(11-10-13-6-4-5-9-15(13)16)12-17-21(19,20)14-7-2-1-3-8-14/h1-9,17-18H,10-12H2/t16-/m0/s1.
What are the key properties of N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzenesulfonamide?
N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzenesulfonamide has a molecular weight of 303.38 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 95983148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).