N-methyl-5-propan-2-yl-1H-indole-3-sulfonamide

C12H16N2O2S — CID 156566206

IUPACN-methyl-5-propan-2-yl-1H-indole-3-sulfonamide
SMILESCNS(=O)(=O)c1c[nH]c2ccc(C(C)C)cc12
InChIInChI=1S/C12H16N2O2S/c1-8(2)9-4-5-11-10(6-9)12(7-14-11)17(15,16)13-3/h4-8,13-14H,1-3H3
InChIKeyLKFGTSWMMYNONK-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.20
Rot. Bonds3

About N-methyl-5-propan-2-yl-1H-indole-3-sulfonamide

N-methyl-5-propan-2-yl-1H-indole-3-sulfonamide (PubChem CID 156566206) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is N-methyl-5-propan-2-yl-1H-indole-3-sulfonamide.

Molecular Properties

Compound NameN-methyl-5-propan-2-yl-1H-indole-3-sulfonamide
PubChem CID156566206
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC NameN-methyl-5-propan-2-yl-1H-indole-3-sulfonamide
SMILESCNS(=O)(=O)c1c[nH]c2ccc(C(C)C)cc12
InChIInChI=1S/C12H16N2O2S/c1-8(2)9-4-5-11-10(6-9)12(7-14-11)17(15,16)13-3/h4-8,13-14H,1-3H3
InChIKeyLKFGTSWMMYNONK-UHFFFAOYSA-N
XLogP2.20
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-propan-2-yl-1H-indole-3-sulfonamide?
The IUPAC name of N-methyl-5-propan-2-yl-1H-indole-3-sulfonamide (CID 156566206) is N-methyl-5-propan-2-yl-1H-indole-3-sulfonamide.
What is the SMILES notation for N-methyl-5-propan-2-yl-1H-indole-3-sulfonamide?
The canonical SMILES for N-methyl-5-propan-2-yl-1H-indole-3-sulfonamide is CNS(=O)(=O)c1c[nH]c2ccc(C(C)C)cc12.
What is the InChIKey of N-methyl-5-propan-2-yl-1H-indole-3-sulfonamide?
The InChIKey is LKFGTSWMMYNONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-8(2)9-4-5-11-10(6-9)12(7-14-11)17(15,16)13-3/h4-8,13-14H,1-3H3.
What are the key properties of N-methyl-5-propan-2-yl-1H-indole-3-sulfonamide?
N-methyl-5-propan-2-yl-1H-indole-3-sulfonamide has a molecular weight of 252.34 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-propan-2-yl-1H-indole-3-sulfonamide is sourced from PubChem (CID 156566206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).