N-(2-hydroxycyclohexyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide

C15H22N2O3S — CID 102632751

IUPACN-(2-hydroxycyclohexyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide
SMILESCN(C1CCCCC1O)S(=O)(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C15H22N2O3S/c1-17(14-4-2-3-5-15(14)18)21(19,20)12-6-7-13-11(10-12)8-9-16-13/h6-7,10,14-16,18H,2-5,8-9H2,1H3
InChIKeyJUQPCTPKXAQGNA-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.58
Rot. Bonds3

About N-(2-hydroxycyclohexyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide

N-(2-hydroxycyclohexyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide (PubChem CID 102632751) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-(2-hydroxycyclohexyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxycyclohexyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide
PubChem CID102632751
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-(2-hydroxycyclohexyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide
SMILESCN(C1CCCCC1O)S(=O)(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C15H22N2O3S/c1-17(14-4-2-3-5-15(14)18)21(19,20)12-6-7-13-11(10-12)8-9-16-13/h6-7,10,14-16,18H,2-5,8-9H2,1H3
InChIKeyJUQPCTPKXAQGNA-UHFFFAOYSA-N
XLogP1.58
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclohexyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide?
The IUPAC name of N-(2-hydroxycyclohexyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide (CID 102632751) is N-(2-hydroxycyclohexyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide.
What is the SMILES notation for N-(2-hydroxycyclohexyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide?
The canonical SMILES for N-(2-hydroxycyclohexyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide is CN(C1CCCCC1O)S(=O)(=O)c1ccc2c(c1)CCN2.
What is the InChIKey of N-(2-hydroxycyclohexyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide?
The InChIKey is JUQPCTPKXAQGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-17(14-4-2-3-5-15(14)18)21(19,20)12-6-7-13-11(10-12)8-9-16-13/h6-7,10,14-16,18H,2-5,8-9H2,1H3.
What are the key properties of N-(2-hydroxycyclohexyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide?
N-(2-hydroxycyclohexyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclohexyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide is sourced from PubChem (CID 102632751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).