N,N-dimethyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-2,3-dihydroindole-5-sulfonamide

C17H18N6O3S — CID 26769743

IUPACN,N-dimethyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-2,3-dihydroindole-5-sulfonamide
SMILESCc1ccnc2nc(C(=O)N3CCc4cc(S(=O)(=O)N(C)C)ccc43)nn12
InChIInChI=1S/C17H18N6O3S/c1-11-6-8-18-17-19-15(20-23(11)17)16(24)22-9-7-12-10-13(4-5-14(12)22)27(25,26)21(2)3/h4-6,8,10H,7,9H2,1-3H3
InChIKeyVWPXGDTZLZUIRG-UHFFFAOYSA-N
MW386.44 g/mol
LogP0.89
Rot. Bonds3

About N,N-dimethyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-2,3-dihydroindole-5-sulfonamide

N,N-dimethyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 26769743) has the molecular formula C17H18N6O3S and a molecular weight of 386.44 g/mol. Its IUPAC name is N,N-dimethyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-2,3-dihydroindole-5-sulfonamide
PubChem CID26769743
Molecular FormulaC17H18N6O3S
Molecular Weight386.44 g/mol
Exact Mass386.12
IUPAC NameN,N-dimethyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-2,3-dihydroindole-5-sulfonamide
SMILESCc1ccnc2nc(C(=O)N3CCc4cc(S(=O)(=O)N(C)C)ccc43)nn12
InChIInChI=1S/C17H18N6O3S/c1-11-6-8-18-17-19-15(20-23(11)17)16(24)22-9-7-12-10-13(4-5-14(12)22)27(25,26)21(2)3/h4-6,8,10H,7,9H2,1-3H3
InChIKeyVWPXGDTZLZUIRG-UHFFFAOYSA-N
XLogP0.89
TPSA100.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-dimethyl-1-(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-7-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 46971943
N-cyclopentyl-1-[4-(dimethylsulfamoyl)benzoyl]-2,3-dihydroindole-5-sulfonamide
CID 19164501
1-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 26769851
N,N-dimethyl-1-(1-methylpiperidine-4-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 50875375
N,N-diethyl-1-(6-methylpyridine-2-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 32784650
N,N-dimethyl-1-[(E)-3-(4-methylphenyl)prop-2-enoyl]-2,3-dihydroindole-5-sulfonamide
CID 37349622
[4-[4-[5-(dimethylsulfamoyl)-2,3-dihydroindole-1-carbonyl]phenyl]phenyl] acetate
CID 52527565
1-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 26964087
1-(cyclopentanecarbonyl)-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17446578
N,N-dimethyl-1-(3-phenylpropanoyl)-2,3-dihydroindole-5-sulfonamide
CID 26769525
N,N-dimethyl-1-(2-oxo-1H-quinoline-4-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 26769678
N,N-diethyl-1-(pyridine-3-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 51255059

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N,N-dimethyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-2,3-dihydroindole-5-sulfonamide (CID 26769743) is N,N-dimethyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N,N-dimethyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N,N-dimethyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-2,3-dihydroindole-5-sulfonamide is Cc1ccnc2nc(C(=O)N3CCc4cc(S(=O)(=O)N(C)C)ccc43)nn12.
What is the InChIKey of N,N-dimethyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is VWPXGDTZLZUIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3S/c1-11-6-8-18-17-19-15(20-23(11)17)16(24)22-9-7-12-10-13(4-5-14(12)22)27(25,26)21(2)3/h4-6,8,10H,7,9H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-2,3-dihydroindole-5-sulfonamide?
N,N-dimethyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 386.44 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 26769743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).