N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide

C17H19N5O4S — CID 91947888

IUPACN-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCn1c(=O)c2[nH]c(CNS(=O)(=O)c3ccc4c(c3)CCC4)nc2n(C)c1=O
InChIInChI=1S/C17H19N5O4S/c1-21-15-14(16(23)22(2)17(21)24)19-13(20-15)9-18-27(25,26)12-7-6-10-4-3-5-11(10)8-12/h6-8,18H,3-5,9H2,1-2H3,(H,19,20)
InChIKeyAKTDCPBBOQJLSH-UHFFFAOYSA-N
MW389.44 g/mol
LogP-0.07
Rot. Bonds4

About N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide

N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 91947888) has the molecular formula C17H19N5O4S and a molecular weight of 389.44 g/mol. Its IUPAC name is N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID91947888
Molecular FormulaC17H19N5O4S
Molecular Weight389.44 g/mol
Exact Mass389.12
IUPAC NameN-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCn1c(=O)c2[nH]c(CNS(=O)(=O)c3ccc4c(c3)CCC4)nc2n(C)c1=O
InChIInChI=1S/C17H19N5O4S/c1-21-15-14(16(23)22(2)17(21)24)19-13(20-15)9-18-27(25,26)12-7-6-10-4-3-5-11(10)8-12/h6-8,18H,3-5,9H2,1-2H3,(H,19,20)
InChIKeyAKTDCPBBOQJLSH-UHFFFAOYSA-N
XLogP-0.07
TPSA118.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide with MolForge

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Related Compounds

N-[2-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)ethyl]-4-methylbenzenesulfonamide
CID 91948075
N-[(1-methylbenzimidazol-2-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 78809678
N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 43212855
N-[(1,2,5-trimethylpyrrol-3-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110642085
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 110739068
N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 50796604
N-(furan-3-ylmethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 47204540
N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 35764559
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-2,3-dihydro-1H-indene-5-sulfonamide;hydrochloride
CID 120721758
N-[3-(dimethylamino)propyl]-4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)benzenesulfonamide
CID 110171679
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 61022852
N-(2-pyrrol-1-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110716386

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide (CID 91947888) is N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide is Cn1c(=O)c2[nH]c(CNS(=O)(=O)c3ccc4c(c3)CCC4)nc2n(C)c1=O.
What is the InChIKey of N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is AKTDCPBBOQJLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O4S/c1-21-15-14(16(23)22(2)17(21)24)19-13(20-15)9-18-27(25,26)12-7-6-10-4-3-5-11(10)8-12/h6-8,18H,3-5,9H2,1-2H3,(H,19,20).
What are the key properties of N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide?
N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 389.44 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 91947888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).