N-[5-(hydroxymethyl)-2-methylphenyl]-2,3-dihydro-1H-indene-5-sulfonamide

C17H19NO3S — CID 111444697

IUPACN-[5-(hydroxymethyl)-2-methylphenyl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCc1ccc(CO)cc1NS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H19NO3S/c1-12-5-6-13(11-19)9-17(12)18-22(20,21)16-8-7-14-3-2-4-15(14)10-16/h5-10,18-19H,2-4,11H2,1H3
InChIKeyLMQWIKCNUZCLLW-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.78
Rot. Bonds4

About N-[5-(hydroxymethyl)-2-methylphenyl]-2,3-dihydro-1H-indene-5-sulfonamide

N-[5-(hydroxymethyl)-2-methylphenyl]-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 111444697) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[5-(hydroxymethyl)-2-methylphenyl]-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-[5-(hydroxymethyl)-2-methylphenyl]-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID111444697
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC NameN-[5-(hydroxymethyl)-2-methylphenyl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCc1ccc(CO)cc1NS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H19NO3S/c1-12-5-6-13(11-19)9-17(12)18-22(20,21)16-8-7-14-3-2-4-15(14)10-16/h5-10,18-19H,2-4,11H2,1H3
InChIKeyLMQWIKCNUZCLLW-UHFFFAOYSA-N
XLogP2.78
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(hydroxymethyl)-2-[(4-methylphenyl)sulfonylamino]phenyl]-3,4-dimethylbenzenesulfonamide
CID 144649563
N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 50796604
4-fluoro-N-[5-(hydroxymethyl)-2-methylphenyl]-2-methylbenzenesulfonamide
CID 111444685
N-[(2S)-1-hydroxybutan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 104981860
methyl 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)benzoate
CID 4793271
N-[(2R)-1-hydroxypropan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 39086781
N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 43212855
2-chloro-N-[5-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide
CID 111444701
2-hydroxy-N-[5-(hydroxymethyl)-2-methylphenyl]-5-methylbenzenesulfonamide
CID 56794472
N-(2-methyl-5-methylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 34194248
N-[3-(hydroxymethyl)pentan-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 62520343
5-chloro-N-[5-(hydroxymethyl)-2-methylphenyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 5193021

Frequently Asked Questions

What is the IUPAC name of N-[5-(hydroxymethyl)-2-methylphenyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-[5-(hydroxymethyl)-2-methylphenyl]-2,3-dihydro-1H-indene-5-sulfonamide (CID 111444697) is N-[5-(hydroxymethyl)-2-methylphenyl]-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-[5-(hydroxymethyl)-2-methylphenyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-[5-(hydroxymethyl)-2-methylphenyl]-2,3-dihydro-1H-indene-5-sulfonamide is Cc1ccc(CO)cc1NS(=O)(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[5-(hydroxymethyl)-2-methylphenyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is LMQWIKCNUZCLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-12-5-6-13(11-19)9-17(12)18-22(20,21)16-8-7-14-3-2-4-15(14)10-16/h5-10,18-19H,2-4,11H2,1H3.
What are the key properties of N-[5-(hydroxymethyl)-2-methylphenyl]-2,3-dihydro-1H-indene-5-sulfonamide?
N-[5-(hydroxymethyl)-2-methylphenyl]-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 317.41 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(hydroxymethyl)-2-methylphenyl]-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 111444697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).