N-(6-chloro-7H-purin-2-yl)-2-methylpropane-2-sulfonamide

C9H12ClN5O2S — CID 114052583

IUPACN-(6-chloro-7H-purin-2-yl)-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)Nc1nc(Cl)c2[nH]cnc2n1
InChIInChI=1S/C9H12ClN5O2S/c1-9(2,3)18(16,17)15-8-13-6(10)5-7(14-8)12-4-11-5/h4H,1-3H3,(H2,11,12,13,14,15)
InChIKeyLWACBSVIQUQUFE-UHFFFAOYSA-N
MW289.75 g/mol
LogP1.55
Rot. Bonds2

About N-(6-chloro-7H-purin-2-yl)-2-methylpropane-2-sulfonamide

N-(6-chloro-7H-purin-2-yl)-2-methylpropane-2-sulfonamide (PubChem CID 114052583) has the molecular formula C9H12ClN5O2S and a molecular weight of 289.75 g/mol. Its IUPAC name is N-(6-chloro-7H-purin-2-yl)-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-(6-chloro-7H-purin-2-yl)-2-methylpropane-2-sulfonamide
PubChem CID114052583
Molecular FormulaC9H12ClN5O2S
Molecular Weight289.75 g/mol
Exact Mass289.04
IUPAC NameN-(6-chloro-7H-purin-2-yl)-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)Nc1nc(Cl)c2[nH]cnc2n1
InChIInChI=1S/C9H12ClN5O2S/c1-9(2,3)18(16,17)15-8-13-6(10)5-7(14-8)12-4-11-5/h4H,1-3H3,(H2,11,12,13,14,15)
InChIKeyLWACBSVIQUQUFE-UHFFFAOYSA-N
XLogP1.55
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.75
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dichloro-7H-purine
CID 10750289
6-chloro-N-(cyclopenta-2,4-dien-1-ylmethyl)-7H-purin-2-amine;cyclopentane;iron
CID 11985898
N-(6-chloro-7H-purin-2-yl)-4-methylpentanamide
CID 114052462
2-amino-N-(6-chloro-7H-purin-2-yl)butanamide
CID 114052303
N-(6-chloro-7H-purin-2-yl)heptanamide
CID 114052494
6-chloro-N-[1-(furan-3-yl)ethyl]-7H-purin-2-amine
CID 171679860
potassium;2,6-dichloro-7H-purine;hydride
CID 173320369
6-chloro-2-nitroso-7H-purine
CID 174878246
N-(6-chloro-7H-purin-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 114052490
N-(6-chloro-7H-purin-2-yl)thiadiazole-5-carboxamide
CID 114052468
3-N-(6-chloro-7H-purin-2-yl)benzene-1,3-diamine
CID 87707609
benzyl N-(6-chloro-7H-purin-2-yl)carbamate
CID 130581137

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-7H-purin-2-yl)-2-methylpropane-2-sulfonamide?
The IUPAC name of N-(6-chloro-7H-purin-2-yl)-2-methylpropane-2-sulfonamide (CID 114052583) is N-(6-chloro-7H-purin-2-yl)-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-(6-chloro-7H-purin-2-yl)-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-(6-chloro-7H-purin-2-yl)-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)Nc1nc(Cl)c2[nH]cnc2n1.
What is the InChIKey of N-(6-chloro-7H-purin-2-yl)-2-methylpropane-2-sulfonamide?
The InChIKey is LWACBSVIQUQUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN5O2S/c1-9(2,3)18(16,17)15-8-13-6(10)5-7(14-8)12-4-11-5/h4H,1-3H3,(H2,11,12,13,14,15).
What are the key properties of N-(6-chloro-7H-purin-2-yl)-2-methylpropane-2-sulfonamide?
N-(6-chloro-7H-purin-2-yl)-2-methylpropane-2-sulfonamide has a molecular weight of 289.75 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-7H-purin-2-yl)-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 114052583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).