N-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]methyl]-1-methyl-2,3-dihydroindole-6-sulfonamide

C14H20N6O2S — CID 167967205

IUPACN-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]methyl]-1-methyl-2,3-dihydroindole-6-sulfonamide
SMILESCN(C)c1n[nH]c(CNS(=O)(=O)c2ccc3c(c2)N(C)CC3)n1
InChIInChI=1S/C14H20N6O2S/c1-19(2)14-16-13(17-18-14)9-15-23(21,22)11-5-4-10-6-7-20(3)12(10)8-11/h4-5,8,15H,6-7,9H2,1-3H3,(H,16,17,18)
InChIKeyMCIFVFFBLWYHDS-UHFFFAOYSA-N
MW336.42 g/mol
LogP0.34
Rot. Bonds5

About N-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]methyl]-1-methyl-2,3-dihydroindole-6-sulfonamide

N-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]methyl]-1-methyl-2,3-dihydroindole-6-sulfonamide (PubChem CID 167967205) has the molecular formula C14H20N6O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is N-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]methyl]-1-methyl-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound NameN-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]methyl]-1-methyl-2,3-dihydroindole-6-sulfonamide
PubChem CID167967205
Molecular FormulaC14H20N6O2S
Molecular Weight336.42 g/mol
Exact Mass336.14
IUPAC NameN-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]methyl]-1-methyl-2,3-dihydroindole-6-sulfonamide
SMILESCN(C)c1n[nH]c(CNS(=O)(=O)c2ccc3c(c2)N(C)CC3)n1
InChIInChI=1S/C14H20N6O2S/c1-19(2)14-16-13(17-18-14)9-15-23(21,22)11-5-4-10-6-7-20(3)12(10)8-11/h4-5,8,15H,6-7,9H2,1-3H3,(H,16,17,18)
InChIKeyMCIFVFFBLWYHDS-UHFFFAOYSA-N
XLogP0.34
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]methyl]-1-methyl-2,3-dihydroindole-6-sulfonamide with MolForge

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Related Compounds

4-chloro-N-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]methyl]-3-methylbenzenesulfonamide
CID 138018058
2-[[(1-methyl-2,3-dihydroindol-6-yl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 146128106
N-[(2R)-4-(diethylamino)-1-hydroxybutan-2-yl]-1-methyl-2,3-dihydroindole-6-sulfonamide
CID 100761656
N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 40828862
N-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 139012528
N-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 98853358
1-acetyl-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 113081583
N-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]acetamide
CID 84586935
1-methyl-N-[(2-methyloxan-4-yl)methyl]-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 75398819
4-chloro-2-[(1-methyl-2,3-dihydroindol-6-yl)sulfonylamino]pent-4-enoic acid
CID 139021047
1-methyl-2,3-dihydroindole-5-sulfonic acid
CID 57117417
1-methyl-5-methylsulfonyl-2,3-dihydroindole
CID 90176022

Frequently Asked Questions

What is the IUPAC name of N-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]methyl]-1-methyl-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of N-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]methyl]-1-methyl-2,3-dihydroindole-6-sulfonamide (CID 167967205) is N-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]methyl]-1-methyl-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for N-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]methyl]-1-methyl-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for N-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]methyl]-1-methyl-2,3-dihydroindole-6-sulfonamide is CN(C)c1n[nH]c(CNS(=O)(=O)c2ccc3c(c2)N(C)CC3)n1.
What is the InChIKey of N-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]methyl]-1-methyl-2,3-dihydroindole-6-sulfonamide?
The InChIKey is MCIFVFFBLWYHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2S/c1-19(2)14-16-13(17-18-14)9-15-23(21,22)11-5-4-10-6-7-20(3)12(10)8-11/h4-5,8,15H,6-7,9H2,1-3H3,(H,16,17,18).
What are the key properties of N-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]methyl]-1-methyl-2,3-dihydroindole-6-sulfonamide?
N-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]methyl]-1-methyl-2,3-dihydroindole-6-sulfonamide has a molecular weight of 336.42 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]methyl]-1-methyl-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 167967205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).