N-(1-hydroxy-2,3-dihydroinden-1-yl)-N,4-dimethylbenzenesulfonamide

C17H19NO3S — CID 19357623

IUPACN-(1-hydroxy-2,3-dihydroinden-1-yl)-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C2(O)CCc3ccccc32)cc1
InChIInChI=1S/C17H19NO3S/c1-13-7-9-15(10-8-13)22(20,21)18(2)17(19)12-11-14-5-3-4-6-16(14)17/h3-10,19H,11-12H2,1-2H3
InChIKeyDFMLVELOQNPSLS-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.41
Rot. Bonds3

About N-(1-hydroxy-2,3-dihydroinden-1-yl)-N,4-dimethylbenzenesulfonamide

N-(1-hydroxy-2,3-dihydroinden-1-yl)-N,4-dimethylbenzenesulfonamide (PubChem CID 19357623) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(1-hydroxy-2,3-dihydroinden-1-yl)-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-hydroxy-2,3-dihydroinden-1-yl)-N,4-dimethylbenzenesulfonamide
PubChem CID19357623
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC NameN-(1-hydroxy-2,3-dihydroinden-1-yl)-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C2(O)CCc3ccccc32)cc1
InChIInChI=1S/C17H19NO3S/c1-13-7-9-15(10-8-13)22(20,21)18(2)17(19)12-11-14-5-3-4-6-16(14)17/h3-10,19H,11-12H2,1-2H3
InChIKeyDFMLVELOQNPSLS-UHFFFAOYSA-N
XLogP2.41
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]-N,4-dimethylbenzenesulfonamide
CID 70267678
N-(1-hydroxy-2,3-dihydroinden-1-yl)-4-methylbenzenesulfonamide;hydroxylamine
CID 158606883
1-[methyl-(4-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 22179814
N-[(1R)-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]-4-methylbenzenesulfonamide
CID 97326025
N-[1-(aminomethyl)cyclopentyl]-N,4-dimethylbenzenesulfonamide
CID 62008627
N-[3-(1-hydroxycyclobutyl)prop-2-ynyl]-N,4-dimethylbenzenesulfonamide
CID 102327104
N-(1-adamantyl)-N,4-dimethylbenzenesulfonamide
CID 22204446
3,4-dihydro-1H-isoquinolin-2-yl-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone
CID 15997169
1-(dimethylamino)-2,3-dihydroindene-1-carboxylic acid;hydrochloride
CID 50988473
2-(4-methylphenyl)sulfonyl-4,5-dihydro-1H-3lambda6,2-benzothiazepine 3,3-dioxide
CID 14947421
4,4-dimethyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinoline
CID 91938897
N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-N,4-dimethylbenzenesulfonamide
CID 110125865

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2,3-dihydroinden-1-yl)-N,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(1-hydroxy-2,3-dihydroinden-1-yl)-N,4-dimethylbenzenesulfonamide (CID 19357623) is N-(1-hydroxy-2,3-dihydroinden-1-yl)-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(1-hydroxy-2,3-dihydroinden-1-yl)-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(1-hydroxy-2,3-dihydroinden-1-yl)-N,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)C2(O)CCc3ccccc32)cc1.
What is the InChIKey of N-(1-hydroxy-2,3-dihydroinden-1-yl)-N,4-dimethylbenzenesulfonamide?
The InChIKey is DFMLVELOQNPSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-13-7-9-15(10-8-13)22(20,21)18(2)17(19)12-11-14-5-3-4-6-16(14)17/h3-10,19H,11-12H2,1-2H3.
What are the key properties of N-(1-hydroxy-2,3-dihydroinden-1-yl)-N,4-dimethylbenzenesulfonamide?
N-(1-hydroxy-2,3-dihydroinden-1-yl)-N,4-dimethylbenzenesulfonamide has a molecular weight of 317.41 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2,3-dihydroinden-1-yl)-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 19357623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).