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

C17H19NO4S — CID 91631210

IUPACN-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)NCC2(O)Cc3ccccc3C2)c1
InChIInChI=1S/C17H19NO4S/c1-22-15-7-4-8-16(9-15)23(20,21)18-12-17(19)10-13-5-2-3-6-14(13)11-17/h2-9,18-19H,10-12H2,1H3
InChIKeyXPUHAVMIBPTKEY-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.50
Rot. Bonds5

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

N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-methoxybenzenesulfonamide (PubChem CID 91631210) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-methoxybenzenesulfonamide
PubChem CID91631210
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC NameN-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)NCC2(O)Cc3ccccc3C2)c1
InChIInChI=1S/C17H19NO4S/c1-22-15-7-4-8-16(9-15)23(20,21)18-12-17(19)10-13-5-2-3-6-14(13)11-17/h2-9,18-19H,10-12H2,1H3
InChIKeyXPUHAVMIBPTKEY-UHFFFAOYSA-N
XLogP1.50
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-3-methoxybenzenesulfonamide
CID 90581195
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-methoxybenzenesulfonamide
CID 90499095
N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-4-methoxy-2-methylbenzenesulfonamide
CID 97042676
N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide
CID 81258228
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]pyridine-3-sulfonamide
CID 90581181
N-but-3-ynyl-3-methoxybenzenesulfonamide
CID 90537996
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-methoxybenzenesulfonamide;hydrochloride
CID 21092261
2,6-difluoro-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]benzenesulfonamide
CID 91631214
6-[(3-methoxyphenyl)sulfonylamino]hexanoic acid
CID 68502210
2-[(3-methoxyphenyl)methyl]-1,3-dihydroinden-2-ol
CID 65147763
3-methoxy-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide
CID 81259985
N-(2-cyclopropyl-2-hydroxypropyl)-3-methoxybenzenesulfonamide
CID 90499355

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-methoxybenzenesulfonamide?
The IUPAC name of N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-methoxybenzenesulfonamide (CID 91631210) is N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-methoxybenzenesulfonamide?
The canonical SMILES for N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-methoxybenzenesulfonamide is COc1cccc(S(=O)(=O)NCC2(O)Cc3ccccc3C2)c1.
What is the InChIKey of N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-methoxybenzenesulfonamide?
The InChIKey is XPUHAVMIBPTKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-22-15-7-4-8-16(9-15)23(20,21)18-12-17(19)10-13-5-2-3-6-14(13)11-17/h2-9,18-19H,10-12H2,1H3.
What are the key properties of N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-methoxybenzenesulfonamide?
N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-methoxybenzenesulfonamide has a molecular weight of 333.41 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-methoxybenzenesulfonamide is sourced from PubChem (CID 91631210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).