N-methyl-N-(2-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-sulfonamide

C16H24N2O2S — CID 107422029

IUPACN-methyl-N-(2-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESCC1CCCCC1N(C)S(=O)(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C16H24N2O2S/c1-12-5-3-4-6-16(12)18(2)21(19,20)15-8-7-13-10-17-11-14(13)9-15/h7-9,12,16-17H,3-6,10-11H2,1-2H3
InChIKeyBKEMPOJWXJGEHS-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.49
Rot. Bonds3

About N-methyl-N-(2-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-sulfonamide

N-methyl-N-(2-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-sulfonamide (PubChem CID 107422029) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-methyl-N-(2-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
PubChem CID107422029
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-methyl-N-(2-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESCC1CCCCC1N(C)S(=O)(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C16H24N2O2S/c1-12-5-3-4-6-16(12)18(2)21(19,20)15-8-7-13-10-17-11-14(13)9-15/h7-9,12,16-17H,3-6,10-11H2,1-2H3
InChIKeyBKEMPOJWXJGEHS-UHFFFAOYSA-N
XLogP2.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(3-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421962
N,3,4-trimethyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 47165021
N-(cyclopentylmethyl)-N-methyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422155
4-bromo-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 47165024
3-hydroxy-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 81258647
2-chloro-N-methyl-N-(2-methylcyclohexyl)pyridine-4-sulfonamide
CID 61046115
N-butyl-N-cyclopropyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421960
N-[(2-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422505
5-methylsulfonyl-2,3-dihydro-1H-isoindole
CID 122493957
N-methyl-N-(2-methylsulfonylethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422271
2-amino-N-methyl-N-(2-methylcyclohexyl)pyrimidine-5-sulfonamide
CID 62159050
N-(2-hydroxycyclohexyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide
CID 102632751

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-sulfonamide?
The IUPAC name of N-methyl-N-(2-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-sulfonamide (CID 107422029) is N-methyl-N-(2-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-sulfonamide.
What is the SMILES notation for N-methyl-N-(2-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-sulfonamide?
The canonical SMILES for N-methyl-N-(2-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-sulfonamide is CC1CCCCC1N(C)S(=O)(=O)c1ccc2c(c1)CNC2.
What is the InChIKey of N-methyl-N-(2-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-sulfonamide?
The InChIKey is BKEMPOJWXJGEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-12-5-3-4-6-16(12)18(2)21(19,20)15-8-7-13-10-17-11-14(13)9-15/h7-9,12,16-17H,3-6,10-11H2,1-2H3.
What are the key properties of N-methyl-N-(2-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-sulfonamide?
N-methyl-N-(2-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-sulfonamide has a molecular weight of 308.45 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-sulfonamide is sourced from PubChem (CID 107422029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).