N-cycloheptyl-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide

C16H24N2O2S — CID 43614367

IUPACN-cycloheptyl-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide
SMILESCN(C1CCCCCC1)S(=O)(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C16H24N2O2S/c1-18(14-6-4-2-3-5-7-14)21(19,20)15-8-9-16-13(12-15)10-11-17-16/h8-9,12,14,17H,2-7,10-11H2,1H3
InChIKeyDNXKXVBASZANSL-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.00
Rot. Bonds3

About N-cycloheptyl-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide

N-cycloheptyl-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide (PubChem CID 43614367) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-cycloheptyl-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-cycloheptyl-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide
PubChem CID43614367
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-cycloheptyl-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide
SMILESCN(C1CCCCCC1)S(=O)(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C16H24N2O2S/c1-18(14-6-4-2-3-5-7-14)21(19,20)15-8-9-16-13(12-15)10-11-17-16/h8-9,12,14,17H,2-7,10-11H2,1H3
InChIKeyDNXKXVBASZANSL-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide?
The IUPAC name of N-cycloheptyl-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide (CID 43614367) is N-cycloheptyl-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide.
What is the SMILES notation for N-cycloheptyl-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide?
The canonical SMILES for N-cycloheptyl-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide is CN(C1CCCCCC1)S(=O)(=O)c1ccc2c(c1)CCN2.
What is the InChIKey of N-cycloheptyl-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide?
The InChIKey is DNXKXVBASZANSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-18(14-6-4-2-3-5-7-14)21(19,20)15-8-9-16-13(12-15)10-11-17-16/h8-9,12,14,17H,2-7,10-11H2,1H3.
What are the key properties of N-cycloheptyl-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide?
N-cycloheptyl-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide has a molecular weight of 308.45 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide is sourced from PubChem (CID 43614367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).