N-[2-(methylamino)propyl]-1-propan-2-ylindazole-5-sulfonamide

C14H22N4O2S — CID 120824862

IUPACN-[2-(methylamino)propyl]-1-propan-2-ylindazole-5-sulfonamide
SMILESCNC(C)CNS(=O)(=O)c1ccc2c(cnn2C(C)C)c1
InChIInChI=1S/C14H22N4O2S/c1-10(2)18-14-6-5-13(7-12(14)9-16-18)21(19,20)17-8-11(3)15-4/h5-7,9-11,15,17H,8H2,1-4H3
InChIKeySJTYPEGIOUJWHQ-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.50
Rot. Bonds6

About N-[2-(methylamino)propyl]-1-propan-2-ylindazole-5-sulfonamide

N-[2-(methylamino)propyl]-1-propan-2-ylindazole-5-sulfonamide (PubChem CID 120824862) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-1-propan-2-ylindazole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-1-propan-2-ylindazole-5-sulfonamide
PubChem CID120824862
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC NameN-[2-(methylamino)propyl]-1-propan-2-ylindazole-5-sulfonamide
SMILESCNC(C)CNS(=O)(=O)c1ccc2c(cnn2C(C)C)c1
InChIInChI=1S/C14H22N4O2S/c1-10(2)18-14-6-5-13(7-12(14)9-16-18)21(19,20)17-8-11(3)15-4/h5-7,9-11,15,17H,8H2,1-4H3
InChIKeySJTYPEGIOUJWHQ-UHFFFAOYSA-N
XLogP1.50
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-1-propan-2-ylindazole-5-sulfonamide?
The IUPAC name of N-[2-(methylamino)propyl]-1-propan-2-ylindazole-5-sulfonamide (CID 120824862) is N-[2-(methylamino)propyl]-1-propan-2-ylindazole-5-sulfonamide.
What is the SMILES notation for N-[2-(methylamino)propyl]-1-propan-2-ylindazole-5-sulfonamide?
The canonical SMILES for N-[2-(methylamino)propyl]-1-propan-2-ylindazole-5-sulfonamide is CNC(C)CNS(=O)(=O)c1ccc2c(cnn2C(C)C)c1.
What is the InChIKey of N-[2-(methylamino)propyl]-1-propan-2-ylindazole-5-sulfonamide?
The InChIKey is SJTYPEGIOUJWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-10(2)18-14-6-5-13(7-12(14)9-16-18)21(19,20)17-8-11(3)15-4/h5-7,9-11,15,17H,8H2,1-4H3.
What are the key properties of N-[2-(methylamino)propyl]-1-propan-2-ylindazole-5-sulfonamide?
N-[2-(methylamino)propyl]-1-propan-2-ylindazole-5-sulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-1-propan-2-ylindazole-5-sulfonamide is sourced from PubChem (CID 120824862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).